5461-0022 Screening compound: 5-[2-(pyridin-2-ylsulfanyl)acetamido]benzene-1,3-dicarboxylic acid

5461-0022 Screening compound: 5-[2-(pyridin-2-ylsulfanyl)acetamido]benzene-1,3-dicarboxylic acid
5461-0022 Screening compound: 5-[2-(pyridin-2-ylsulfanyl)acetamido]benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5461-0022
5-[2-(pyridin-2-ylsulfanyl)acetamido]benzene-1,3-dicarboxylic 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

5461-0022

Molecular Formula

C15H12N2O5S (C15 H12 N2 O5 S)

Compound Name

5-[2-(pyridin-2-ylsulfanyl)acetamido]benzene-1,3-dicarboxylic acid

IUPAC name

5-[2-(pyridin-2-ylsulfanyl)acetamido]benzene-13-dicarboxylic acid

SMILES

OC(c1cc(NC(CSc2ncccc2)=O)cc(C(O)=O)c1)=O

InChI

InChI=1S/C15H12N2O5S/c18-12(8-23-13-3-1-2-4-16-13)17-11-6-9(14(19)20)5-10(7-11)15(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)

InChI Key

SCQNINCLAWKPTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.631

Distribution Coefficient, logD

-0.732

Water Solubility, LogSw

-2.98

Polar Surface Area

88.341

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5461-0022 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5461-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5461-0022?
Check Price and Availability of 5461-0022, 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 5461-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5461-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5461-0022
  • 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 5461-0022 available by request