M061-0742 Screening compound: 3-[3-(cyclopentylsulfamoyl)-4-methoxyphenyl]-5,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

M061-0742 Screening compound: 3-[3-(cyclopentylsulfamoyl)-4-methoxyphenyl]-5,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
M061-0742 Screening compound: 3-[3-(cyclopentylsulfamoyl)-4-methoxyphenyl]-5,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M061-0742
3-[3-(cyclopentylsulfamoyl)-4-methoxyphenyl]-5,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

M061-0742

Molecular Formula

C27H31N5O5S (C27 H31 N5 O5 S)

Compound Name

3-[3-(cyclopentylsulfamoyl)-4-methoxyphenyl]-5,7-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-[3-(cyclopentylsulfamoyl)-4-methoxyphenyl]-57-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1ccc(CNC(c2nn3c(C)cc(C)nc3c2-c(cc2)cc(S(NC3CCCC3)(=O)=O)c2OC)=O)o1

InChI

InChI=1S/C27H31N5O5S/c1-16-13-17(2)32-26(29-16)24(25(30-32)27(33)28-15-21-11-9-18(3)37-21)19-10-12-22(36-4)23(14-19)38(34,35)31-20-7-5-6-8-20/h9-14,20,31H,5-8,15H2,1-4H3,(H,28,33)

InChI Key

CCMNEQKPFOUPMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.20

Polar Surface Area

101.861

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

M061-0742 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M061-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M061-0742?
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What is the minimum amount of M061-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M061-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M061-0742
  • 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 M061-0742 available by request