4084-0010 Screening compound: 2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2,4-thiadiazol-3-yl}sulfanyl)-1-phenylethan-1-one

4084-0010 Screening compound: 2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2,4-thiadiazol-3-yl}sulfanyl)-1-phenylethan-1-one
4084-0010 Screening compound: 2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2,4-thiadiazol-3-yl}sulfanyl)-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4084-0010
2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2,4-thiadiazol-3-yl}sulfanyl)-1-phenylethan-1-one

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

4084-0010

Molecular Formula

C18H14N2O2S3 (C18 H14 N2 O2 S3)

Compound Name

2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,2,4-thiadiazol-3-yl}sulfanyl)-1-phenylethan-1-one

IUPAC name

2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-124-thiadiazol-3-yl}sulfanyl)-1-phenylethan-1-one

SMILES

O=C(CSc1nsc(SCC(c2ccccc2)=O)n1)c1ccccc1

InChI

InChI=1S/C18H14N2O2S3/c21-15(13-7-3-1-4-8-13)11-23-17-19-18(25-20-17)24-12-16(22)14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

KONASHMRPNLRJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.43

Polar Surface Area

45.090

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4084-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4084-0010?
Check Price and Availability of 4084-0010, 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 4084-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4084-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4084-0010
  • 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 4084-0010 available by request