8002-6187 Screening compound: 4-[({[10-({[4-(propionyloxy)anilino]carbonyl}oxy)decyl]oxy}carbonyl)amino]phenyl propionate

8002-6187 Screening compound: 4-[({[10-({[4-(propionyloxy)anilino]carbonyl}oxy)decyl]oxy}carbonyl)amino]phenyl propionate
8002-6187 Screening compound: 4-[({[10-({[4-(propionyloxy)anilino]carbonyl}oxy)decyl]oxy}carbonyl)amino]phenyl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6187
4-[({[10-({[4-(propionyloxy)anilino]carbonyl}oxy)decyl]oxy}carbonyl)amino]phenyl propionate

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

8002-6187

Molecular Formula

C30H40N2O8 (C30 H40 N2 O8)

Compound Name

4-[({[10-({[4-(propionyloxy)anilino]carbonyl}oxy)decyl]oxy}carbonyl)amino]phenyl propionate

IUPAC name

4-[({[10-({[4-(propanoyloxy)phenyl]carbamoyl}oxy)decyl]oxy}carbonyl)amino]phenyl propanoate

SMILES

CCC(Oc(cc1)ccc1NC(OCCCCCCCCCCOC(Nc(cc1)ccc1OC(CC)=O)=O)=O)=O

InChI

InChI=1S/C30H40N2O8/c1-3-27(33)39-25-17-13-23(14-18-25)31-29(35)37-21-11-9-7-5-6-8-10-12-22-38-30(36)32-24-15-19-26(20-16-24)40-28(34)4-2/h13-20H,3-12,21-22H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

GVOQKVVTCBFFGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

23.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.754

Distribution Coefficient, logD

7.754

Water Solubility, LogSw

-5.70

Polar Surface Area

103.552

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

8002-6187 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8002-6187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6187?
Check Price and Availability of 8002-6187, 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 8002-6187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6187
  • 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 8002-6187 available by request