S341-0585 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

S341-0585 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
S341-0585 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-0585
5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-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

S341-0585

Molecular Formula

C17H12FN3O4 (C17 H12 FN3 O4)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-124-oxadiazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCO3)n1)NCc(cc1)ccc1F

InChI

InChI=1S/C17H12FN3O4/c18-12-4-1-10(2-5-12)8-19-16(22)15-20-17(25-21-15)11-3-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2,(H,19,22)

InChI Key

OVQGUAPHLUSZCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.943

Water Solubility, LogSw

-3.28

Polar Surface Area

73.445

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

S341-0585 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S341-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-0585?
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What is the minimum amount of S341-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-0585
  • 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 S341-0585 available by request