C328-0078 Screening compound: 3,4,5-trimethoxy-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

C328-0078 Screening compound: 3,4,5-trimethoxy-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
C328-0078 Screening compound: 3,4,5-trimethoxy-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 C328-0078
3,4,5-trimethoxy-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

C328-0078

Molecular Formula

C18H20N6O6S2 (C18 H20 N6 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c(cc3OC)cc(OC)c3OC)=O)o2)=O)s1

InChI

InChI=1S/C18H20N6O6S2/c1-9-21-23-17(32-9)20-13(25)8-31-18-24-22-14(30-18)7-19-16(26)10-5-11(27-2)15(29-4)12(6-10)28-3/h5-6H,7-8H2,1-4H3,(H,19,26)(H,20,23,25)

InChI Key

JFOSXIZFMQKXQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.753

Distribution Coefficient, logD

0.704

Water Solubility, LogSw

-2.13

Polar Surface Area

123.893

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C328-0078 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C328-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0078?
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What is the minimum amount of C328-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0078
  • 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 C328-0078 available by request