3733-0001 Screening compound: (3E)-3-{[(2,4-dimethylphenyl)amino]methylidene}-5-phenyl-2,3-dihydrothiophen-2-one

3733-0001 Screening compound: (3E)-3-{[(2,4-dimethylphenyl)amino]methylidene}-5-phenyl-2,3-dihydrothiophen-2-one
3733-0001 Screening compound: (3E)-3-{[(2,4-dimethylphenyl)amino]methylidene}-5-phenyl-2,3-dihydrothiophen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3733-0001
(3E)-3-{[(2,4-dimethylphenyl)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

3733-0001

Molecular Formula

C19H17NOS (C19 H17 NOS)

Compound Name

(3E)-3-{[(2,4-dimethylphenyl)amino]methylidene}-5-phenyl-2,3-dihydrothiophen-2-one

IUPAC name

(3E)-3-{[(24-dimethylphenyl)amino]methylidene}-5-phenyl-23-dihydrothiophen-2-one

SMILES

Cc(cc1)cc(C)c1N/C=C(\C=C(c1ccccc1)S1)/C1=O

InChI

InChI=1S/C19H17NOS/c1-13-8-9-17(14(2)10-13)20-12-16-11-18(22-19(16)21)15-6-4-3-5-7-15/h3-12,20H,1-2H3

InChI Key

XEKPBSWSHICXLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00644135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.38

Polar Surface Area

24.229

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3733-0001 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 3733-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3733-0001?
Check Price and Availability of 3733-0001, 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 3733-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3733-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3733-0001
  • 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 3733-0001 available by request