C540-0354 Screening compound: 2-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C540-0354 Screening compound: 2-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C540-0354 Screening compound: 2-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0354
2-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

C540-0354

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

2-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[3-methyl-6-(3-nitrophenyl)imidazo[21-b][13]thiazole-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc1c(C(N(CC2)Cc3c2cccc3)=O)sc2nc(-c3cc([N+]([O-])=O)ccc3)cn12

InChI

InChI=1S/C22H18N4O3S/c1-14-20(21(27)24-10-9-15-5-2-3-6-17(15)12-24)30-22-23-19(13-25(14)22)16-7-4-8-18(11-16)26(28)29/h2-8,11,13H,9-10,12H2,1H3

InChI Key

YMBZUIAPKKKJFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469118

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

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.29

Polar Surface Area

59.134

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C540-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0354?
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What is the minimum amount of C540-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0354
  • 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 C540-0354 available by request