8002-6451 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate

8002-6451 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate
8002-6451 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6451
2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate

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

8002-6451

Molecular Formula

C16H13ClO3 (C16 H13 ClO3)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate

SMILES

Cc1cccc(C(OCC(c(cc2)ccc2Cl)=O)=O)c1

InChI

InChI=1S/C16H13ClO3/c1-11-3-2-4-13(9-11)16(19)20-10-15(18)12-5-7-14(17)8-6-12/h2-9H,10H2,1H3

InChI Key

PCECYNZZWBVHNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00421970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.50

Polar Surface Area

34.343

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8002-6451 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8002-6451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6451?
Check Price and Availability of 8002-6451, 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 8002-6451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6451
  • 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 8002-6451 available by request