P597-0029 Screening compound: N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

P597-0029 Screening compound: N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide
P597-0029 Screening compound: N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0029
N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-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

P597-0029

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

N-{[3-(1-methyl-1H-1,3-benzodiazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

IUPAC name

N-{[3-(1-methyl-1H-13-benzodiazol-6-yl)-124-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

SMILES

Cn1c(cc(cc2)-c3noc(CNC(c4cccs4)=O)n3)c2nc1

InChI

InChI=1S/C16H13N5O2S/c1-21-9-18-11-5-4-10(7-12(11)21)15-19-14(23-20-15)8-17-16(22)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,17,22)

InChI Key

CKLUEYKKFXXLFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-3.01

Polar Surface Area

68.025

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

P597-0029 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 P597-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0029?
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What is the minimum amount of P597-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0029
  • 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 P597-0029 available by request