P029-0295 Screening compound: N-{[3-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

P029-0295 Screening compound: N-{[3-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide
P029-0295 Screening compound: N-{[3-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0295
N-{[3-(1-methyl-6-oxo-1,6-dihydropyridin-3-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

P029-0295

Molecular Formula

C14H12N4O3S (C14 H12 N4 O3 S)

Compound Name

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

IUPAC name

N-{[3-(1-methyl-6-oxo-16-dihydropyridin-3-yl)-124-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

SMILES

CN(C=C(C=C1)c2noc(CNC(c3cccs3)=O)n2)C1=O

InChI

InChI=1S/C14H12N4O3S/c1-18-8-9(4-5-12(18)19)13-16-11(21-17-13)7-15-14(20)10-3-2-6-22-10/h2-6,8H,7H2,1H3,(H,15,20)

InChI Key

LUENBRHQCCIDKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.646

Distribution Coefficient, logD

0.646

Water Solubility, LogSw

-2.11

Polar Surface Area

73.511

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P029-0295 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 P029-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0295?
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What is the minimum amount of P029-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0295
  • 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 P029-0295 available by request