F034-0247 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-{[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]SULFANYL}ACETAMIDE

F034-0247 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-{[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]SULFANYL}ACETAMIDE
F034-0247 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-{[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]SULFANYL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F034-0247
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-{[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]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

F034-0247

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-{[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]SULFANYL}ACETAMIDE

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{[(3-phenyl-124-oxadiazol-5-yl)methyl]sulfanyl}acetamide

SMILES

O=C(CSCc1nc(-c2ccccc2)no1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H17N3O4S/c23-17(20-9-13-6-7-15-16(8-13)25-12-24-15)10-27-11-18-21-19(22-26-18)14-4-2-1-3-5-14/h1-8H,9-12H2,(H,20,23)

InChI Key

KMJMFWVSGXHSRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-4.05

Polar Surface Area

72.897

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F034-0247 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F034-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F034-0247?
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What is the minimum amount of F034-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F034-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F034-0247
  • 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 F034-0247 available by request