8005-4666 Screening compound: 4-{[(4-chlorophenyl)sulfanyl]methyl}benzoate

8005-4666 Screening compound: 4-{[(4-chlorophenyl)sulfanyl]methyl}benzoate
8005-4666 Screening compound: 4-{[(4-chlorophenyl)sulfanyl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4666
4-{[(4-chlorophenyl)sulfanyl]methyl}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

8005-4666

Molecular Formula

C14H10ClO2S (C14 H10 ClO2 S)

Compound Name

4-{[(4-chlorophenyl)sulfanyl]methyl}benzoate

IUPAC name

4-{[(4-chlorophenyl)sulfanyl]methyl}benzoate

SMILES

[O-]C(c1ccc(CSc(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C14H11ClO2S/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)/p-1

InChI Key

WLILBDMBJNDKRT-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

277.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.42

Polar Surface Area

28.375

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8005-4666 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-4666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4666?
Check Price and Availability of 8005-4666, 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 8005-4666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4666
  • 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 8005-4666 available by request