8010-2150 Screening compound: 3-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

8010-2150 Screening compound: 3-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea
8010-2150 Screening compound: 3-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2150
3-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)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

8010-2150

Molecular Formula

C17H15ClN4OS2 (C17 H15 ClN4 OS2)

Compound Name

3-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

IUPAC name

3-{5-[(benzylsulfanyl)methyl]-134-thiadiazol-2-yl}-1-(4-chlorophenyl)urea

SMILES

O=C(Nc1nnc(CSCc2ccccc2)s1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C17H15ClN4OS2/c18-13-6-8-14(9-7-13)19-16(23)20-17-22-21-15(25-17)11-24-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,20,22,23)

InChI Key

JOCRXPVFCBTFNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.96

Polar Surface Area

56.310

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8010-2150 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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:
  • Cancer

References: we are preparing a list of scientific research reports with 8010-2150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2150?
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What is the minimum amount of 8010-2150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2150
  • 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 8010-2150 available by request