3601-0239 Screening compound: 4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl N,N-dimethylcarbamate

3601-0239 Screening compound: 4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl N,N-dimethylcarbamate
3601-0239 Screening compound: 4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl N,N-dimethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0239
4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl N,N-dimethylcarbamate

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

3601-0239

Molecular Formula

C25H21N3O3S (C25 H21 N3 O3 S)

Compound Name

4-{[(2Z,5Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl N,N-dimethylcarbamate

IUPAC name

4-{[(2Z5Z)-4-oxo-3-phenyl-2-(phenylimino)-13-thiazolidin-5-ylidene]methyl}phenyl NN-dimethylcarbamate

SMILES

CN(C)C(Oc1ccc(/C=C(/C(N2c3ccccc3)=O)\S/C2=N\c2ccccc2)cc1)=O

InChI

InChI=1S/C25H21N3O3S/c1-27(2)25(30)31-21-15-13-18(14-16-21)17-22-23(29)28(20-11-7-4-8-12-20)24(32-22)26-19-9-5-3-6-10-19/h3-17H,1-2H3

InChI Key

VOQLMDVYDIFDIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01784411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.36

Polar Surface Area

46.201

Acid Dissociation Constant (pKa)

32.91

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3601-0239 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 3601-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0239?
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What is the minimum amount of 3601-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0239
  • 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 3601-0239 available by request