4463-0027 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino 3,4-dichlorobenzoate

4463-0027 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino 3,4-dichlorobenzoate
4463-0027 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino 3,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4463-0027
[(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino 3,4-dichlorobenzoate

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

4463-0027

Molecular Formula

C16H11Cl2NO2S (C16 H11 Cl2 NO2 S)

Compound Name

[(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino 3,4-dichlorobenzoate

IUPAC name

[(4Z)-34-dihydro-2H-1-benzothiopyran-4-ylidene]amino 34-dichlorobenzoate

SMILES

O=C(c(cc1)cc(Cl)c1Cl)O/N=C1\c(cccc2)c2SCC1

InChI

InChI=1S/C16H11Cl2NO2S/c17-12-6-5-10(9-13(12)18)16(20)21-19-14-7-8-22-15-4-2-1-3-11(14)15/h1-6,9H,7-8H2

InChI Key

BIKGPXKICHNTFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-5.09

Polar Surface Area

31.482

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4463-0027 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4463-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4463-0027?
Check Price and Availability of 4463-0027, 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 4463-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4463-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4463-0027
  • 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 4463-0027 available by request