C540-0360 Screening compound: N-butyl-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C540-0360 Screening compound: N-butyl-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
C540-0360 Screening compound: N-butyl-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0360
N-butyl-3-methyl-6-(3-nitrophenyl)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

C540-0360

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c(s1)c(C)n2c1nc(-c1cc([N+]([O-])=O)ccc1)c2)=O

InChI

InChI=1S/C17H18N4O3S/c1-3-4-8-18-16(22)15-11(2)20-10-14(19-17(20)25-15)12-6-5-7-13(9-12)21(23)24/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,22)

InChI Key

GLQPECCXAJLSJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-3.89

Polar Surface Area

67.350

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C540-0360 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C540-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0360?
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What is the minimum amount of C540-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0360
  • 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 C540-0360 available by request