D240-0004 Screening compound: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(furan-2-yl)methyl]pyridine-3-carboxamide

D240-0004 Screening compound: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(furan-2-yl)methyl]pyridine-3-carboxamide
D240-0004 Screening compound: N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(furan-2-yl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D240-0004
N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)sulfonyl]-N-[(furan-2-yl)methyl]pyridine-3-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

D240-0004

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

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

IUPAC name

N-[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)sulfonyl]-N-[(furan-2-yl)methyl]pyridine-3-carboxamide

SMILES

CN(c(ccc(S(N(Cc1ccco1)C(c1cnccc1)=O)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C20H18N4O5S/c1-22-17-8-7-16(11-18(17)23(2)20(22)26)30(27,28)24(13-15-6-4-10-29-15)19(25)14-5-3-9-21-12-14/h3-12H,13H2,1-2H3

InChI Key

VGHMPVYOYLKSRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06433007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

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

1.540

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-1.96

Polar Surface Area

79.939

Acid Dissociation Constant (pKa)

29.72

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D240-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D240-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D240-0004?
Check Price and Availability of D240-0004, 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 D240-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D240-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D240-0004
  • 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 D240-0004 available by request