C328-0097 Screening compound: N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

C328-0097 Screening compound: N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
C328-0097 Screening compound: N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0097
N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

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

C328-0097

Molecular Formula

C21H28N4O6S (C21 H28 N4 O6 S)

Compound Name

N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NCc(o2)nnc2SCC(NC2CCCCC2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C21H28N4O6S/c1-28-15-9-13(10-16(29-2)19(15)30-3)20(27)22-11-18-24-25-21(31-18)32-12-17(26)23-14-7-5-4-6-8-14/h9-10,14H,4-8,11-12H2,1-3H3,(H,22,27)(H,23,26)

InChI Key

YYEMNTQWKRKQQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-2.39

Polar Surface Area

101.589

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C328-0097 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C328-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0097?
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What is the minimum amount of C328-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0097
  • 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 C328-0097 available by request