C540-0347 Screening compound: ethyl 4-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate

C540-0347 Screening compound: ethyl 4-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate
C540-0347 Screening compound: ethyl 4-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0347
ethyl 4-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate

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

C540-0347

Molecular Formula

C20H21N5O5S (C20 H21 N5 O5 S)

Compound Name

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

IUPAC name

ethyl 4-[3-methyl-6-(3-nitrophenyl)imidazo[21-b][13]thiazole-2-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(s1)c(C)n2c1nc(-c1cc([N+]([O-])=O)ccc1)c2)=O)=O

InChI

InChI=1S/C20H21N5O5S/c1-3-30-20(27)23-9-7-22(8-10-23)18(26)17-13(2)24-12-16(21-19(24)31-17)14-5-4-6-15(11-14)25(28)29/h4-6,11-12H,3,7-10H2,1-2H3

InChI Key

VTPODKUMRWRIHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.27

Polar Surface Area

82.252

Acid Dissociation Constant (pKa)

28.98

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C540-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0347?
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What is the minimum amount of C540-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0347
  • 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 C540-0347 available by request