D401-0787 Screening compound: 3-{[2-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid

D401-0787 Screening compound: 3-{[2-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid
D401-0787 Screening compound: 3-{[2-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0787
3-{[2-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-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

D401-0787

Molecular Formula

C19H13ClN4O2 (C19 H13 ClN4 O2)

Compound Name

3-{[2-(3-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoic acid

IUPAC name

3-{[2-(3-chlorophenyl)imidazo[12-a]pyrazin-3-yl]amino}benzoic acid

SMILES

OC(c1cccc(Nc2c(-c3cccc(Cl)c3)nc3n2ccnc3)c1)=O

InChI

InChI=1S/C19H13ClN4O2/c20-14-5-1-3-12(9-14)17-18(24-8-7-21-11-16(24)23-17)22-15-6-2-4-13(10-15)19(25)26/h1-11,22H,(H,25,26)

InChI Key

YJKMERNTMXERDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

1.203

Water Solubility, LogSw

-4.53

Polar Surface Area

55.605

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D401-0787 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D401-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0787?
Check Price and Availability of D401-0787, 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 D401-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0787
  • 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 D401-0787 available by request