V010-5942 Screening compound: 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide

V010-5942 Screening compound: 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide
V010-5942 Screening compound: 3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5942
3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide

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

V010-5942

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide

IUPAC name

3-[5-cyclopropyl-3-(5-methyl-134-oxadiazol-2-yl)-1H-pyrazol-1-yl]-N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide

SMILES

Cc1nnc(-c(cc2C3CC3)nn2-c2cccc(C(NCCSCc3ccco3)=O)c2)o1

InChI

InChI=1S/C23H23N5O3S/c1-15-25-26-23(31-15)20-13-21(16-7-8-16)28(27-20)18-5-2-4-17(12-18)22(29)24-9-11-32-14-19-6-3-10-30-19/h2-6,10,12-13,16H,7-9,11,14H2,1H3,(H,24,29)

InChI Key

FSZGDOIZWRVYBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.75

Polar Surface Area

75.332

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V010-5942 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V010-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5942?
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What is the minimum amount of V010-5942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5942
  • 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 V010-5942 available by request