D278-0137 Screening compound: 4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid

D278-0137 Screening compound: 4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid
D278-0137 Screening compound: 4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D278-0137
4-[(6-phenylpyrimidin-4-yl)amino]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

D278-0137

Molecular Formula

C17H13N3O2 (C17 H13 N3 O2)

Compound Name

4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid

IUPAC name

4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid

SMILES

OC(c(cc1)ccc1Nc1ncnc(-c2ccccc2)c1)=O

InChI

InChI=1S/C17H13N3O2/c21-17(22)13-6-8-14(9-7-13)20-16-10-15(18-11-19-16)12-4-2-1-3-5-12/h1-11H,(H,21,22)(H,18,19,20)

InChI Key

IBTKKAWZAUACSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09262584

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-4.40

Polar Surface Area

57.664

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D278-0137 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D278-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D278-0137?
Check Price and Availability of D278-0137, 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 D278-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D278-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D278-0137
  • 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 D278-0137 available by request