C540-0333 Screening compound: 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine

C540-0333 Screening compound: 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine
C540-0333 Screening compound: 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0333
1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine

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

C540-0333

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidine

IUPAC name

1-[3-methyl-6-(3-nitrophenyl)imidazo[21-b][13]thiazole-2-carbonyl]pyrrolidine

SMILES

Cc1c(C(N2CCCC2)=O)sc2nc(-c3cc([N+]([O-])=O)ccc3)cn12

InChI

InChI=1S/C17H16N4O3S/c1-11-15(16(22)19-7-2-3-8-19)25-17-18-14(10-20(11)17)12-5-4-6-13(9-12)21(23)24/h4-6,9-10H,2-3,7-8H2,1H3

InChI Key

NGHJRGRHMMRHCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.48

Polar Surface Area

59.838

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C540-0333 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 C540-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0333?
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What is the minimum amount of C540-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0333
  • 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 C540-0333 available by request