2524-3755 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyloxy]butyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2524-3755 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyloxy]butyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2524-3755 Screening compound: 4-[4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyloxy]butyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2524-3755
4-[4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyloxy]butyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2524-3755

Molecular Formula

C44H48N2O10 (C44 H48 N2 O10)

Compound Name

4-[4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyloxy]butyl 4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

4-[4-(2H-13-benzodioxol-5-yl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carbonyloxy]butyl 4-(2H-13-benzodioxol-5-yl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc3)cc4c3OCO4)C(OCCCCOC(C(C3c(cc4)cc5c4OCO5)=C(C)NC(CC(C)(C)C4)=C3C4=O)=O)=O)=C2C1=O

InChI

InChI=1S/C44H48N2O10/c1-23-35(37(25-9-11-31-33(15-25)55-21-53-31)39-27(45-23)17-43(3,4)19-29(39)47)41(49)51-13-7-8-14-52-42(50)36-24(2)46-28-18-44(5,6)20-30(48)40(28)38(36)26-10-12-32-34(16-26)56-22-54-32/h9-12,15-16,37-38,45-46H,7-8,13-14,17-22H2,1-6H3

InChI Key

ZJEATMIYOZOGFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

764.87

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.756

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-5.67

Polar Surface Area

123.659

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

2524-3755 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2524-3755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2524-3755?
Check Price and Availability of 2524-3755, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2524-3755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2524-3755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2524-3755
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2524-3755 available by request