K670-0005 Screening compound: 4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid

K670-0005 Screening compound: 4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid
K670-0005 Screening compound: 4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K670-0005
4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid

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

K670-0005

Molecular Formula

C14H10ClNO4S (C14 H10 ClNO4 S)

Compound Name

4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid

IUPAC name

4-{[(4-chlorophenyl)methyl]sulfanyl}-3-nitrobenzoic acid

SMILES

[O-][N+](c(cc(cc1)C(O)=O)c1SCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C14H10ClNO4S/c15-11-4-1-9(2-5-11)8-21-13-6-3-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18)

InChI Key

YLWSQISTLHMKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

0.536

Water Solubility, LogSw

-4.54

Polar Surface Area

61.456

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

K670-0005 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K670-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K670-0005?
Check Price and Availability of K670-0005, 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 K670-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K670-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K670-0005
  • 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 K670-0005 available by request