P029-0282 Screening compound: 1-methyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one

P029-0282 Screening compound: 1-methyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one
P029-0282 Screening compound: 1-methyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0282
1-methyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one

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

P029-0282

Molecular Formula

C13H11N3O2S (C13 H11 N3 O2 S)

Compound Name

1-methyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-dihydropyridin-2-one

IUPAC name

1-methyl-5-[5-(3-methylthiophen-2-yl)-124-oxadiazol-3-yl]-12-dihydropyridin-2-one

SMILES

Cc1c(-c2nc(C(C=C3)=CN(C)C3=O)no2)scc1

InChI

InChI=1S/C13H11N3O2S/c1-8-5-6-19-11(8)13-14-12(15-18-13)9-3-4-10(17)16(2)7-9/h3-7H,1-2H3

InChI Key

AFMXXNPBBSDLOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-2.21

Polar Surface Area

49.160

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

P029-0282 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 P029-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0282?
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What is the minimum amount of P029-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0282
  • 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 P029-0282 available by request