D600-0421 Screening compound: 4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoic acid

D600-0421 Screening compound: 4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoic acid
D600-0421 Screening compound: 4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D600-0421
4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}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

D600-0421

Molecular Formula

C20H15ClN4O2 (C20 H15 ClN4 O2)

Compound Name

4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoic acid

IUPAC name

4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[12-a]pyrazin-2-yl}benzoic acid

SMILES

Cc(ccc(Nc1c(-c(cc2)ccc2C(O)=O)nc2n1ccnc2)c1)c1Cl

InChI

InChI=1S/C20H15ClN4O2/c1-12-2-7-15(10-16(12)21)23-19-18(24-17-11-22-8-9-25(17)19)13-3-5-14(6-4-13)20(26)27/h2-11,23H,1H3,(H,26,27)

InChI Key

QQXDURGCJFVQBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.82

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

4.863

Distribution Coefficient, logD

1.135

Water Solubility, LogSw

-4.54

Polar Surface Area

55.605

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D600-0421 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with D600-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D600-0421?
Check Price and Availability of D600-0421, 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 D600-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D600-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D600-0421
  • 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 D600-0421 available by request