0814-0002 Screening compound: 4-(3,4-dimethylbenzamido)benzoic acid

0814-0002 Screening compound: 4-(3,4-dimethylbenzamido)benzoic acid
0814-0002 Screening compound: 4-(3,4-dimethylbenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0814-0002
4-(3,4-dimethylbenzamido)benzoic 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

0814-0002

Molecular Formula

C16H15NO3 (C16 H15 NO3)

Compound Name

4-(3,4-dimethylbenzamido)benzoic acid

IUPAC name

4-(34-dimethylbenzamido)benzoic acid

SMILES

Cc(cc1)c(C)cc1C(Nc(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C16H15NO3/c1-10-3-4-13(9-11(10)2)15(18)17-14-7-5-12(6-8-14)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)

InChI Key

POUMGZWATATDRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.3

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

3.855

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-3.87

Polar Surface Area

51.738

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0814-0002 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0814-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0814-0002?
Check Price and Availability of 0814-0002, 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 0814-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0814-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0814-0002
  • 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 0814-0002 available by request