C328-0136 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide

C328-0136 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide
C328-0136 Screening compound: 2-(4-chlorophenoxy)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0136
2-(4-chlorophenoxy)-N-[(5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]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

C328-0136

Molecular Formula

C17H19ClN4O5S (C17 H19 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1Cl)NCc(o1)nnc1SCC(N1CCOCC1)=O

InChI

InChI=1S/C17H19ClN4O5S/c18-12-1-3-13(4-2-12)26-10-14(23)19-9-15-20-21-17(27-15)28-11-16(24)22-5-7-25-8-6-22/h1-4H,5-11H2,(H,19,23)

InChI Key

FHKAORRQPACROA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.736

Distribution Coefficient, logD

0.736

Water Solubility, LogSw

-2.54

Polar Surface Area

86.001

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C328-0136 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C328-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0136?
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What is the minimum amount of C328-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0136
  • 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 C328-0136 available by request