4511-0061 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino benzoate

4511-0061 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino benzoate
4511-0061 Screening compound: [(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4511-0061
[(4Z)-3,4-dihydro-2H-1-benzothiopyran-4-ylidene]amino benzoate

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

4511-0061

Molecular Formula

C16H13NO2S (C16 H13 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)O/N=C1\c(cccc2)c2SCC1

InChI

InChI=1S/C16H13NO2S/c18-16(12-6-2-1-3-7-12)19-17-14-10-11-20-15-9-5-4-8-13(14)15/h1-9H,10-11H2

InChI Key

SEOABUFODNEWOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.35

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

3.613

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.83

Polar Surface Area

31.482

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4511-0061 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4511-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4511-0061?
Check Price and Availability of 4511-0061, 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 4511-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4511-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4511-0061
  • 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 4511-0061 available by request