M042-0033 Screening compound: 1-[4-(acetylamino)-5-(1-pyrrolidinylcarbonyl)-1,3-thiazol-2-yl]-N~4~-cyclopentyl-4-piperidinecarboxamide

M042-0033 Screening compound: 1-[4-(acetylamino)-5-(1-pyrrolidinylcarbonyl)-1,3-thiazol-2-yl]-N~4~-cyclopentyl-4-piperidinecarboxamide
M042-0033 Screening compound: 1-[4-(acetylamino)-5-(1-pyrrolidinylcarbonyl)-1,3-thiazol-2-yl]-N~4~-cyclopentyl-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M042-0033
1-[4-(acetylamino)-5-(1-pyrrolidinylcarbonyl)-1,3-thiazol-2-yl]-N~4~-cyclopentyl-4-piperidinecarboxamide

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

M042-0033

Molecular Formula

C21H31N5O3S (C21 H31 N5 O3 S)

Compound Name

1-[4-(acetylamino)-5-(1-pyrrolidinylcarbonyl)-1,3-thiazol-2-yl]-N~4~-cyclopentyl-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

CC(Nc1c(C(N2CCCC2)=O)sc(N(CC2)CCC2C(NC2CCCC2)=O)n1)=O

InChI

InChI=1S/C21H31N5O3S/c1-14(27)22-18-17(20(29)25-10-4-5-11-25)30-21(24-18)26-12-8-15(9-13-26)19(28)23-16-6-2-3-7-16/h15-16H,2-13H2,1H3,(H,22,27)(H,23,28)

InChI Key

QJZOOACPPMTLAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.61

Polar Surface Area

78.932

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

M042-0033 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M042-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M042-0033?
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What is the minimum amount of M042-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M042-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M042-0033
  • 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 M042-0033 available by request