C328-0031F Screening compound: N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide

C328-0031F Screening compound: N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
C328-0031F Screening compound: N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0031F
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide

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

C328-0031F

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

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

IUPAC name

N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCc(o1)nnc1SCC(NC1CCCCC1)=O)=O

InChI

InChI=1S/C19H24N4O4S/c1-26-15-9-7-13(8-10-15)18(25)20-11-17-22-23-19(27-17)28-12-16(24)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,25)(H,21,24)

InChI Key

ZGHMNXMCIFUNPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.39

Polar Surface Area

86.155

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

C328-0031F in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C328-0031F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0031F?
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What is the minimum amount of C328-0031F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0031F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0031F
  • 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 C328-0031F available by request