D240-0002 Screening compound: N-benzyl-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]pyridine-4-carboxamide

D240-0002 Screening compound: N-benzyl-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]pyridine-4-carboxamide
D240-0002 Screening compound: N-benzyl-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D240-0002
N-benzyl-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]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

D240-0002

Molecular Formula

C22H20N4O4S (C22 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(N(Cc1ccccc1)C(c1ccncc1)=O)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C22H20N4O4S/c1-24-19-9-8-18(14-20(19)25(2)22(24)28)31(29,30)26(15-16-6-4-3-5-7-16)21(27)17-10-12-23-13-11-17/h3-14H,15H2,1-2H3

InChI Key

WICQTPRVKSGWRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06432992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.193

Distribution Coefficient, logD

2.192

Water Solubility, LogSw

-2.70

Polar Surface Area

72.101

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D240-0002 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D240-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D240-0002?
Check Price and Availability of D240-0002, 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 D240-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D240-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D240-0002
  • 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 D240-0002 available by request