C540-0238 Screening compound: ethyl 4-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate

C540-0238 Screening compound: ethyl 4-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate
C540-0238 Screening compound: ethyl 4-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0238
ethyl 4-[6-(4-methoxyphenyl)-3-methylimidazo[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

C540-0238

Molecular Formula

C21H24N4O4S (C21 H24 N4 O4 S)

Compound Name

ethyl 4-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[6-(4-methoxyphenyl)-3-methylimidazo[21-b][13]thiazole-2-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(s1)c(C)n2c1nc(-c(cc1)ccc1OC)c2)=O)=O

InChI

InChI=1S/C21H24N4O4S/c1-4-29-21(27)24-11-9-23(10-12-24)19(26)18-14(2)25-13-17(22-20(25)30-18)15-5-7-16(28-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3

InChI Key

GRVVHDZQRVORRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04469037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.24

Polar Surface Area

56.414

Acid Dissociation Constant (pKa)

28.98

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C540-0238 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C540-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0238?
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What is the minimum amount of C540-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0238
  • 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 C540-0238 available by request