8017-6275 Screening compound: 4-chlorobenzyl N-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]carbamate

8017-6275 Screening compound: 4-chlorobenzyl N-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]carbamate
8017-6275 Screening compound: 4-chlorobenzyl N-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6275
4-chlorobenzyl N-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]carbamate

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

8017-6275

Molecular Formula

C17H14ClN3O2S2 (C17 H14 ClN3 O2 S2)

Compound Name

4-chlorobenzyl N-[3-(benzylsulfanyl)-1,2,4-thiadiazol-5-yl]carbamate

IUPAC name

(4-chlorophenyl)methyl N-[3-(benzylsulfanyl)-124-thiadiazol-5-yl]carbamate

SMILES

O=C(Nc1nc(SCc2ccccc2)ns1)OCc(cc1)ccc1Cl

InChI

InChI=1S/C17H14ClN3O2S2/c18-14-8-6-12(7-9-14)10-23-17(22)20-15-19-16(21-25-15)24-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,21,22)

InChI Key

WZSKKJQLTDZUBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-5.93

Polar Surface Area

51.096

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8017-6275 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-6275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6275?
Check Price and Availability of 8017-6275, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-6275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6275
  • 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 8017-6275 available by request