0090-0115 Screening compound: 3-(4-methylbenzamido)benzoic acid

0090-0115 Screening compound: 3-(4-methylbenzamido)benzoic acid
0090-0115 Screening compound: 3-(4-methylbenzamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0090-0115
3-(4-methylbenzamido)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

0090-0115

Molecular Formula

C15H13NO3 (C15 H13 NO3)

Compound Name

3-(4-methylbenzamido)benzoic acid

IUPAC name

3-(4-methylbenzamido)benzoic acid

SMILES

Cc(cc1)ccc1C(Nc1cccc(C(O)=O)c1)=O

InChI

InChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(9-13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

InChI Key

YIUOCQNDNUKQFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00157840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.27

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

3.568

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-3.52

Polar Surface Area

51.738

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0090-0115 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 0090-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0090-0115?
Check Price and Availability of 0090-0115, 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 0090-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0090-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0090-0115
  • 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 0090-0115 available by request