C540-0339 Screening compound: ethyl 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-4-carboxylate

C540-0339 Screening compound: ethyl 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-4-carboxylate
C540-0339 Screening compound: ethyl 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0339
ethyl 1-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperidine-4-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

C540-0339

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-3-30-20(27)14-7-9-23(10-8-14)19(26)18-13(2)24-12-17(22-21(24)31-18)15-5-4-6-16(11-15)25(28)29/h4-6,11-12,14H,3,7-10H2,1-2H3

InChI Key

XEESQIDJTCWIDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.59

Polar Surface Area

80.225

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with C540-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0339?
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What is the minimum amount of C540-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0339
  • 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 C540-0339 available by request