3931-3215 Screening compound: N-benzyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide

3931-3215 Screening compound: N-benzyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide
3931-3215 Screening compound: N-benzyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-3215
N-benzyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide

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

3931-3215

Molecular Formula

C29H28N2O2S2 (C29 H28 N2 O2 S2)

Compound Name

N-benzyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide

IUPAC name

N-benzyl-4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-phenylbutanamide

SMILES

CCc1ccc(/C=C(/C(N2CCCC(N(Cc3ccccc3)c3ccccc3)=O)=O)\SC2=S)cc1

InChI

InChI=1S/C29H28N2O2S2/c1-2-22-15-17-23(18-16-22)20-26-28(33)30(29(34)35-26)19-9-14-27(32)31(25-12-7-4-8-13-25)21-24-10-5-3-6-11-24/h3-8,10-13,15-18,20H,2,9,14,19,21H2,1H3

InChI Key

MXVKWOJVOHACHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.545

Distribution Coefficient, logD

6.545

Water Solubility, LogSw

-5.63

Polar Surface Area

31.516

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

3931-3215 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 3931-3215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-3215?
Check Price and Availability of 3931-3215, 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 3931-3215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-3215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-3215
  • 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 3931-3215 available by request