F040-0082 Screening compound: N-(4-ethylphenyl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide

F040-0082 Screening compound: N-(4-ethylphenyl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide
F040-0082 Screening compound: N-(4-ethylphenyl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F040-0082
N-(4-ethylphenyl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide

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

F040-0082

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

N-(4-ethylphenyl)-2-({3-[4-(propan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl}sulfanyl)acetamide

IUPAC name

N-(4-ethylphenyl)-2-({3-[4-(propan-2-yl)phenyl]-124-oxadiazol-5-yl}sulfanyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSc1nc(-c2ccc(C(C)C)cc2)no1)=O

InChI

InChI=1S/C21H23N3O2S/c1-4-15-5-11-18(12-6-15)22-19(25)13-27-21-23-20(24-26-21)17-9-7-16(8-10-17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,25)

InChI Key

ZNHQLAUKKDJITE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.217

Distribution Coefficient, logD

6.217

Water Solubility, LogSw

-5.52

Polar Surface Area

54.375

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F040-0082 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F040-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F040-0082?
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What is the minimum amount of F040-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F040-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F040-0082
  • 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 F040-0082 available by request