7163-1421 Screening compound: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide

7163-1421 Screening compound: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide
7163-1421 Screening compound: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7163-1421
N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide

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

7163-1421

Molecular Formula

C22H20N4O5S (C22 H20 N4 O5 S)

Compound Name

N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide

IUPAC name

N-[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)sulfonyl]-N-(4-methoxyphenyl)pyridine-4-carboxamide

SMILES

CN(c(ccc(S(N(C(c1ccncc1)=O)c(cc1)ccc1OC)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C22H20N4O5S/c1-24-19-9-8-18(14-20(19)25(2)22(24)28)32(29,30)26(16-4-6-17(31-3)7-5-16)21(27)15-10-12-23-13-11-15/h4-14H,1-3H3

InChI Key

UQVRGOKGSNOCEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08161628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

2.307

Water Solubility, LogSw

-2.72

Polar Surface Area

80.203

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

7163-1421 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7163-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7163-1421?
Check Price and Availability of 7163-1421, 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 7163-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7163-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7163-1421
  • 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 7163-1421 available by request