M057-0203 Screening compound: 1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

M057-0203 Screening compound: 1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
M057-0203 Screening compound: 1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound M057-0203
1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

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

M057-0203

Molecular Formula

C23H28N4O4S (C23 H28 N4 O4 S)

Compound Name

1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-[4-methyl-2-(1H-pyrrol-1-yl)-13-thiazole-5-carbonyl]-4-[(234-trimethoxyphenyl)methyl]piperazine

SMILES

Cc1c(C(N2CCN(Cc(ccc(OC)c3OC)c3OC)CC2)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C23H28N4O4S/c1-16-21(32-23(24-16)27-9-5-6-10-27)22(28)26-13-11-25(12-14-26)15-17-7-8-18(29-2)20(31-4)19(17)30-3/h5-10H,11-15H2,1-4H3

InChI Key

XFEANRJTQRRVKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15140011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.38

Polar Surface Area

57.875

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

M057-0203 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 M057-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M057-0203?
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What is the minimum amount of M057-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M057-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M057-0203
  • 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 M057-0203 available by request