C540-0356 Screening compound: 2-methyl-1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2,3-dihydro-1H-indole

C540-0356 Screening compound: 2-methyl-1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2,3-dihydro-1H-indole
C540-0356 Screening compound: 2-methyl-1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0356
2-methyl-1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-2,3-dihydro-1H-indole

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

C540-0356

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

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

IUPAC name

2-methyl-1-[3-methyl-6-(3-nitrophenyl)imidazo[21-b][13]thiazole-2-carbonyl]-23-dihydro-1H-indole

SMILES

CC(C1)N(C(c(s2)c(C)n3c2nc(-c2cc([N+]([O-])=O)ccc2)c3)=O)c2c1cccc2

InChI

InChI=1S/C22H18N4O3S/c1-13-10-16-6-3-4-9-19(16)25(13)21(27)20-14(2)24-12-18(23-22(24)30-20)15-7-5-8-17(11-15)26(28)29/h3-9,11-13H,10H2,1-2H3/t13-/m0/s1

InChI Key

XSWQUESMFUQWIW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04469119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

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

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.57

Polar Surface Area

57.441

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C540-0356 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 C540-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0356?
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What is the minimum amount of C540-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0356
  • 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 C540-0356 available by request