3335-0296 Screening compound: (E)-N-[(5Z)-4-benzyl-2-(prop-2-en-1-yl)-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-phenylbenzenecarboximidamide

3335-0296 Screening compound: (E)-N-[(5Z)-4-benzyl-2-(prop-2-en-1-yl)-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-phenylbenzenecarboximidamide
3335-0296 Screening compound: (E)-N-[(5Z)-4-benzyl-2-(prop-2-en-1-yl)-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-phenylbenzenecarboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0296
(E)-N-[(5Z)-4-benzyl-2-(prop-2-en-1-yl)-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-phenylbenzenecarboximidamide

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

3335-0296

Molecular Formula

C25H22N4S2 (C25 H22 N4 S2)

Compound Name

(E)-N-[(5Z)-4-benzyl-2-(prop-2-en-1-yl)-3-sulfanylidene-1,2,4-thiadiazolidin-5-ylidene]-N'-phenylbenzenecarboximidamide

IUPAC name

(E)-N-[(5Z)-4-benzyl-2-(prop-2-en-1-yl)-3-sulfanylidene-124-thiadiazolidin-5-ylidene]-N'-phenylbenzenecarboximidamide

SMILES

C=CCN(C(N1Cc2ccccc2)=S)S/C1=N\C(\c1ccccc1)=N\c1ccccc1

InChI

InChI=1S/C25H22N4S2/c1-2-18-29-25(30)28(19-20-12-6-3-7-13-20)24(31-29)27-23(21-14-8-4-9-15-21)26-22-16-10-5-11-17-22/h2-17H,1,18-19H2

InChI Key

FOVOXINAXRBTJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02172414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

5.834

Water Solubility, LogSw

-6.13

Polar Surface Area

24.197

Acid Dissociation Constant (pKa)

31.88

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3335-0296 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3335-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0296?
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What is the minimum amount of 3335-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0296
  • 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 3335-0296 available by request