C328-0012 Screening compound: 4-methoxy-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

C328-0012 Screening compound: 4-methoxy-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
C328-0012 Screening compound: 4-methoxy-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0012
4-methoxy-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)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

C328-0012

Molecular Formula

C16H16N6O4S2 (C16 H16 N6 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(cc3)ccc3OC)=O)o2)=O)s1

InChI

InChI=1S/C16H16N6O4S2/c1-9-19-21-15(28-9)18-12(23)8-27-16-22-20-13(26-16)7-17-14(24)10-3-5-11(25-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,17,24)(H,18,21,23)

InChI Key

IFILBHDDPOBAQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.955

Distribution Coefficient, logD

0.905

Water Solubility, LogSw

-2.13

Polar Surface Area

108.459

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C328-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C328-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0012?
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What is the minimum amount of C328-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0012
  • 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 C328-0012 available by request