1457-0052 Screening compound: (3Z)-3-({[2-({[(3Z)-2-oxo-5-phenyl-2,3-dihydrothiophen-3-ylidene]methyl}amino)ethyl]amino}methylidene)-5-phenyl-2,3-dihydrothiophen-2-one

1457-0052 Screening compound: (3Z)-3-({[2-({[(3Z)-2-oxo-5-phenyl-2,3-dihydrothiophen-3-ylidene]methyl}amino)ethyl]amino}methylidene)-5-phenyl-2,3-dihydrothiophen-2-one
1457-0052 Screening compound: (3Z)-3-({[2-({[(3Z)-2-oxo-5-phenyl-2,3-dihydrothiophen-3-ylidene]methyl}amino)ethyl]amino}methylidene)-5-phenyl-2,3-dihydrothiophen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1457-0052
(3Z)-3-({[2-({[(3Z)-2-oxo-5-phenyl-2,3-dihydrothiophen-3-ylidene]methyl}amino)ethyl]amino}methylidene)-5-phenyl-2,3-dihydrothiophen-2-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

1457-0052

Molecular Formula

C24H20N2O2S2 (C24 H20 N2 O2 S2)

Compound Name

(3Z)-3-({[2-({[(3Z)-2-oxo-5-phenyl-2,3-dihydrothiophen-3-ylidene]methyl}amino)ethyl]amino}methylidene)-5-phenyl-2,3-dihydrothiophen-2-one

IUPAC name

(3Z)-3-({[2-({[(3Z)-2-oxo-5-phenyl-23-dihydrothiophen-3-ylidene]methyl}amino)ethyl]amino}methylidene)-5-phenyl-23-dihydrothiophen-2-one

SMILES

O=C1SC(c2ccccc2)=C/C1=C/NCCN/C=C(/C=C(c1ccccc1)S1)\C1=O

InChI

InChI=1S/C24H20N2O2S2/c27-23-19(13-21(29-23)17-7-3-1-4-8-17)15-25-11-12-26-16-20-14-22(30-24(20)28)18-9-5-2-6-10-18/h1-10,13-16,25-26H,11-12H2

InChI Key

FGHLAHKYCWIRQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.29

Polar Surface Area

52.633

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1457-0052 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1457-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1457-0052?
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What is the minimum amount of 1457-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1457-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1457-0052
  • 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 1457-0052 available by request