C540-0386 Screening compound: 3-methyl-6-(3-nitrophenyl)-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C540-0386 Screening compound: 3-methyl-6-(3-nitrophenyl)-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
C540-0386 Screening compound: 3-methyl-6-(3-nitrophenyl)-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0386
3-methyl-6-(3-nitrophenyl)-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

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

C540-0386

Molecular Formula

C19H15N5O3S (C19 H15 N5 O3 S)

Compound Name

3-methyl-6-(3-nitrophenyl)-N-[(pyridin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

IUPAC name

3-methyl-6-(3-nitrophenyl)-N-[(pyridin-2-yl)methyl]imidazo[21-b][13]thiazole-2-carboxamide

SMILES

Cc1c(C(NCc2ncccc2)=O)sc2nc(-c3cc([N+]([O-])=O)ccc3)cn12

InChI

InChI=1S/C19H15N5O3S/c1-12-17(18(25)21-10-14-6-2-3-8-20-14)28-19-22-16(11-23(12)19)13-5-4-7-15(9-13)24(26)27/h2-9,11H,10H2,1H3,(H,21,25)

InChI Key

CEPVGVZBGSEATM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.144

Distribution Coefficient, logD

3.144

Water Solubility, LogSw

-3.40

Polar Surface Area

76.780

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C540-0386 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C540-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0386?
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What is the minimum amount of C540-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0386
  • 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 C540-0386 available by request