K780-0396 Screening compound: ethyl 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylate

K780-0396 Screening compound: ethyl 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylate
K780-0396 Screening compound: ethyl 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0396
ethyl 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylate

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

K780-0396

Molecular Formula

C14H13ClO3S (C14 H13 ClO3 S)

Compound Name

ethyl 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylate

IUPAC name

ethyl 5-{[(4-chlorophenyl)sulfanyl]methyl}furan-2-carboxylate

SMILES

CCOC(c1ccc(CSc(cc2)ccc2Cl)o1)=O

InChI

InChI=1S/C14H13ClO3S/c1-2-17-14(16)13-8-5-11(18-13)9-19-12-6-3-10(15)4-7-12/h3-8H,2,9H2,1H3

InChI Key

ALGVKDHJHIIPER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.64

Polar Surface Area

28.562

Acid Dissociation Constant (pKa)

30.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K780-0396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0396?
Check Price and Availability of K780-0396, 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 K780-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0396
  • 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 K780-0396 available by request