F034-0754 Screening compound: 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

F034-0754 Screening compound: 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide
F034-0754 Screening compound: 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F034-0754
2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

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

F034-0754

Molecular Formula

C18H15ClFN3O2S (C18 H15 ClFN3 O2 S)

Compound Name

2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

IUPAC name

2-({[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-N-(4-fluorophenyl)-N-methylacetamide

SMILES

CN(C(CSCc1nc(-c(cc2)ccc2Cl)no1)=O)c(cc1)ccc1F

InChI

InChI=1S/C18H15ClFN3O2S/c1-23(15-8-6-14(20)7-9-15)17(24)11-26-10-16-21-18(22-25-16)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3

InChI Key

QKJWDGDVADYGQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.64

Polar Surface Area

46.423

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F034-0754 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F034-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F034-0754?
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What is the minimum amount of F034-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F034-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F034-0754
  • 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 F034-0754 available by request