4652-0078 Screening compound: 4-[(3-chlorophenyl)carbamoyl]benzene-1,3-dicarboxylic acid

4652-0078 Screening compound: 4-[(3-chlorophenyl)carbamoyl]benzene-1,3-dicarboxylic acid
4652-0078 Screening compound: 4-[(3-chlorophenyl)carbamoyl]benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4652-0078
4-[(3-chlorophenyl)carbamoyl]benzene-1,3-dicarboxylic acid

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

4652-0078

Molecular Formula

C15H10ClNO5 (C15 H10 ClNO5)

Compound Name

4-[(3-chlorophenyl)carbamoyl]benzene-1,3-dicarboxylic acid

IUPAC name

4-[(3-chlorophenyl)carbamoyl]benzene-13-dicarboxylic acid

SMILES

OC(c(cc1)cc(C(O)=O)c1C(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C15H10ClNO5/c16-9-2-1-3-10(7-9)17-13(18)11-5-4-8(14(19)20)6-12(11)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)

InChI Key

GCGJKPFXXYROPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

-1.426

Water Solubility, LogSw

-3.85

Polar Surface Area

80.146

Acid Dissociation Constant (pKa)

2.48

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4652-0078 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4652-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4652-0078?
Check Price and Availability of 4652-0078, 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 4652-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4652-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4652-0078
  • 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 4652-0078 available by request