C188-0402 Screening compound: N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

C188-0402 Screening compound: N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
C188-0402 Screening compound: N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C188-0402
N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

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

C188-0402

Molecular Formula

C21H15FN4O3 (C21 H15 FN4 O3)

Compound Name

N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

IUPAC name

N-[2-(4-fluorophenyl)-7-methylimidazo[12-a]pyridin-3-yl]-3-nitrobenzamide

SMILES

Cc1cc2nc(-c(cc3)ccc3F)c(NC(c3cc([N+]([O-])=O)ccc3)=O)n2cc1

InChI

InChI=1S/C21H15FN4O3/c1-13-9-10-25-18(11-13)23-19(14-5-7-16(22)8-6-14)20(25)24-21(27)15-3-2-4-17(12-15)26(28)29/h2-12H,1H3,(H,24,27)

InChI Key

ZHBJCXMEVOLFTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.31

Polar Surface Area

65.239

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

C188-0402 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C188-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C188-0402?
Check Price and Availability of C188-0402, 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 C188-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C188-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C188-0402
  • 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 C188-0402 available by request