3257-4453 Screening compound: 3-(3-chlorobenzamido)-4-methylbenzoic acid

3257-4453 Screening compound: 3-(3-chlorobenzamido)-4-methylbenzoic acid
3257-4453 Screening compound: 3-(3-chlorobenzamido)-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-4453
3-(3-chlorobenzamido)-4-methylbenzoic 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

3257-4453

Molecular Formula

C15H12ClNO3 (C15 H12 ClNO3)

Compound Name

3-(3-chlorobenzamido)-4-methylbenzoic acid

IUPAC name

3-(3-chlorobenzamido)-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C15H12ClNO3/c1-9-5-6-11(15(19)20)8-13(9)17-14(18)10-3-2-4-12(16)7-10/h2-8H,1H3,(H,17,18)(H,19,20)

InChI Key

KXBCBTSYLYWCBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-4.03

Polar Surface Area

51.040

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3257-4453 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3257-4453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-4453?
Check Price and Availability of 3257-4453, 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 3257-4453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-4453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-4453
  • 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 3257-4453 available by request