P180-0504 Screening compound: N~2~-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-thienyl]-5-methyl-2-thiophenecarboxamide

P180-0504 Screening compound: N~2~-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-thienyl]-5-methyl-2-thiophenecarboxamide
P180-0504 Screening compound: N~2~-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-thienyl]-5-methyl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P180-0504
N~2~-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-thienyl]-5-methyl-2-thiophenecarboxamide

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

P180-0504

Molecular Formula

C15H13N3O2S2 (C15 H13 N3 O2 S2)

Compound Name

N~2~-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-thienyl]-5-methyl-2-thiophenecarboxamide

IUPAC name

N-[2-(5-cyclopropyl-134-oxadiazol-2-yl)thiophen-3-yl]-5-methylthiophene-2-carboxamide

SMILES

Cc1ccc(C(Nc2c(-c3nnc(C4CC4)o3)scc2)=O)s1

InChI

InChI=1S/C15H13N3O2S2/c1-8-2-5-11(22-8)13(19)16-10-6-7-21-12(10)15-18-17-14(20-15)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,16,19)

InChI Key

SPMGXULUVSCZFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-3.95

Polar Surface Area

55.436

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

P180-0504 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 P180-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P180-0504?
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What is the minimum amount of P180-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P180-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P180-0504
  • 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 P180-0504 available by request