8009-3562 Screening compound: propan-2-yl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8009-3562 Screening compound: propan-2-yl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8009-3562 Screening compound: propan-2-yl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3562
propan-2-yl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-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

8009-3562

Molecular Formula

C27H27NO5 (C27 H27 NO5)

Compound Name

propan-2-yl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(2H-13-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cc2)cc3c2OCO3)=C(C)NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C27H27NO5/c1-15(2)33-27(30)24-16(3)28-20-11-19(17-7-5-4-6-8-17)12-21(29)26(20)25(24)18-9-10-22-23(13-18)32-14-31-22/h4-10,13,15,19,25,28H,11-12,14H2,1-3H3

InChI Key

ZHJYQTXRGPQHTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-5.46

Polar Surface Area

61.198

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

8009-3562 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3562?
Check Price and Availability of 8009-3562, 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 8009-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3562
  • 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 8009-3562 available by request