4785-0001 Screening compound: (3E)-3-{[(2-chlorophenyl)amino]methylidene}-5-phenyl-2,3-dihydrofuran-2-thione

4785-0001 Screening compound: (3E)-3-{[(2-chlorophenyl)amino]methylidene}-5-phenyl-2,3-dihydrofuran-2-thione
4785-0001 Screening compound: (3E)-3-{[(2-chlorophenyl)amino]methylidene}-5-phenyl-2,3-dihydrofuran-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4785-0001
(3E)-3-{[(2-chlorophenyl)amino]methylidene}-5-phenyl-2,3-dihydrofuran-2-thione

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

4785-0001

Molecular Formula

C17H12ClNOS (C17 H12 ClNOS)

Compound Name

(3E)-3-{[(2-chlorophenyl)amino]methylidene}-5-phenyl-2,3-dihydrofuran-2-thione

IUPAC name

(3E)-3-{[(2-chlorophenyl)amino]methylidene}-5-phenyl-23-dihydrofuran-2-thione

SMILES

S=C1OC(c2ccccc2)=C/C1=C\Nc(cccc1)c1Cl

InChI

InChI=1S/C17H12ClNOS/c18-14-8-4-5-9-15(14)19-11-13-10-16(20-17(13)21)12-6-2-1-3-7-12/h1-11,19H

InChI Key

PUFHDJYOIOOEDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00644162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.81

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

4.829

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-5.07

Polar Surface Area

20.531

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4785-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4785-0001?
Check Price and Availability of 4785-0001, 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 4785-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4785-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4785-0001
  • 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 4785-0001 available by request