C328-0135 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

C328-0135 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
C328-0135 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0135
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)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

C328-0135

Molecular Formula

C19H23ClN4O4S (C19 H23 ClN4 O4 S)

Compound Name

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

IUPAC name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

SMILES

O=C(COc(cc1)ccc1Cl)NCc(o1)nnc1SCC(N1CCCCCC1)=O

InChI

InChI=1S/C19H23ClN4O4S/c20-14-5-7-15(8-6-14)27-12-16(25)21-11-17-22-23-19(28-17)29-13-18(26)24-9-3-1-2-4-10-24/h5-8H,1-4,9-13H2,(H,21,25)

InChI Key

ZTLMBPVTPWIPPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-3.17

Polar Surface Area

78.424

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

C328-0135 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C328-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0135?
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What is the minimum amount of C328-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0135
  • 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 C328-0135 available by request