C328-0058 Screening compound: 4-methoxy-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

C328-0058 Screening compound: 4-methoxy-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
C328-0058 Screening compound: 4-methoxy-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0058
4-methoxy-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

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

C328-0058

Molecular Formula

C22H24N4O4S (C22 H24 N4 O4 S)

Compound Name

4-methoxy-N-{[5-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

IUPAC name

4-methoxy-N-{[5-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}benzamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nnc(CNC(c(cc2)ccc2OC)=O)o1)=O

InChI

InChI=1S/C22H24N4O4S/c1-13-9-14(2)20(15(3)10-13)24-18(27)12-31-22-26-25-19(30-22)11-23-21(28)16-5-7-17(29-4)8-6-16/h5-10H,11-12H2,1-4H3,(H,23,28)(H,24,27)

InChI Key

XPTSRCNMPFEMTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

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

2.641

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-2.90

Polar Surface Area

83.712

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C328-0058 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0058?
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What is the minimum amount of C328-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0058
  • 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 C328-0058 available by request