C301-9300 Screening compound: 3-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-(3-methoxyphenyl)urea

C301-9300 Screening compound: 3-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-(3-methoxyphenyl)urea
C301-9300 Screening compound: 3-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9300
3-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-(3-methoxyphenyl)urea

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

C301-9300

Molecular Formula

C17H16N4O2S2 (C17 H16 N4 O2 S2)

Compound Name

3-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]-1-(3-methoxyphenyl)urea

IUPAC name

3-[3-(benzylsulfanyl)-124-thiadiazol-5-yl]-1-(3-methoxyphenyl)urea

SMILES

COc1cccc(NC(Nc2nc(SCc3ccccc3)ns2)=O)c1

InChI

InChI=1S/C17H16N4O2S2/c1-23-14-9-5-8-13(10-14)18-15(22)19-16-20-17(21-25-16)24-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H2,18,19,20,21,22)

InChI Key

QTMMRAYBGHPDKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.748

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.59

Polar Surface Area

59.395

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C301-9300 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9300?
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What is the minimum amount of C301-9300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9300
  • 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 C301-9300 available by request