C328-0251 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide

C328-0251 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide
C328-0251 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0251
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide

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

C328-0251

Molecular Formula

C18H21FN4O3S (C18 H21 FN4 O3 S)

Compound Name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-fluorobenzamide

IUPAC name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-2-fluorobenzamide

SMILES

O=C(CSc1nnc(CNC(c(cccc2)c2F)=O)o1)N1CCCCCC1

InChI

InChI=1S/C18H21FN4O3S/c19-14-8-4-3-7-13(14)17(25)20-11-15-21-22-18(26-15)27-12-16(24)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-12H2,(H,20,25)

InChI Key

YLZKJWLWGMPSCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

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

2.185

Distribution Coefficient, logD

2.185

Water Solubility, LogSw

-2.84

Polar Surface Area

71.138

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C328-0251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C328-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0251?
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What is the minimum amount of C328-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0251
  • 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 C328-0251 available by request