6232-2889 Screening compound: 2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

6232-2889 Screening compound: 2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
6232-2889 Screening compound: 2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2889
2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

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

6232-2889

Molecular Formula

C18H17N3OS3 (C18 H17 N3 OS3)

Compound Name

2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

IUPAC name

2-[(4-phenyl-5-sulfanylidene-45-dihydro-134-thiadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CSC(SC1=S)=NN1c1ccccc1)=O

InChI

InChI=1S/C18H17N3OS3/c1-13(14-8-4-2-5-9-14)19-16(22)12-24-17-20-21(18(23)25-17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,19,22)/t13-/m0/s1

InChI Key

FABYJJXWDNRPJA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02039550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.348

Distribution Coefficient, logD

4.348

Water Solubility, LogSw

-4.20

Polar Surface Area

37.823

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6232-2889 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 6232-2889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2889?
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What is the minimum amount of 6232-2889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2889
  • 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 6232-2889 available by request