8003-6488 Screening compound: 2-oxo-2-phenylethyl 2-(4-hexylbenzamido)benzoate

8003-6488 Screening compound: 2-oxo-2-phenylethyl 2-(4-hexylbenzamido)benzoate
8003-6488 Screening compound: 2-oxo-2-phenylethyl 2-(4-hexylbenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6488
2-oxo-2-phenylethyl 2-(4-hexylbenzamido)benzoate

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

8003-6488

Molecular Formula

C28H29NO4 (C28 H29 NO4)

Compound Name

2-oxo-2-phenylethyl 2-(4-hexylbenzamido)benzoate

IUPAC name

2-oxo-2-phenylethyl 2-(4-hexylbenzamido)benzoate

SMILES

CCCCCCc(cc1)ccc1C(Nc(cccc1)c1C(OCC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C28H29NO4/c1-2-3-4-6-11-21-16-18-23(19-17-21)27(31)29-25-15-10-9-14-24(25)28(32)33-20-26(30)22-12-7-5-8-13-22/h5,7-10,12-19H,2-4,6,11,20H2,1H3,(H,29,31)

InChI Key

YNXHTLFSGHLFKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.889

Distribution Coefficient, logD

6.617

Water Solubility, LogSw

-5.75

Polar Surface Area

56.736

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8003-6488 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-6488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6488?
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What is the minimum amount of 8003-6488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6488
  • 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 8003-6488 available by request