P018-0733 Screening compound: 2-chloro-N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)pyridine-4-carboxamide

P018-0733 Screening compound: 2-chloro-N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)pyridine-4-carboxamide
P018-0733 Screening compound: 2-chloro-N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P018-0733
2-chloro-N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)pyridine-4-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

P018-0733

Molecular Formula

C19H12ClFN4O2S (C19 H12 ClFN4 O2 S)

Compound Name

2-chloro-N-({5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}methyl)pyridine-4-carboxamide

IUPAC name

2-chloro-N-({5-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]thiophen-2-yl}methyl)pyridine-4-carboxamide

SMILES

O=C(c1cc(Cl)ncc1)NCc1ccc(-c2nc(-c(cc3)ccc3F)no2)s1

InChI

InChI=1S/C19H12ClFN4O2S/c20-16-9-12(7-8-22-16)18(26)23-10-14-5-6-15(28-14)19-24-17(25-27-19)11-1-3-13(21)4-2-11/h1-9H,10H2,(H,23,26)

InChI Key

MEIFBDNUYFBLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-5.02

Polar Surface Area

65.991

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

P018-0733 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P018-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P018-0733?
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What is the minimum amount of P018-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P018-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P018-0733
  • 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 P018-0733 available by request