C436-1747 Screening compound: N~2~-[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl]-N~2~-(4-methylphenyl)-2-thiophenesulfonamide

C436-1747 Screening compound: N~2~-[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl]-N~2~-(4-methylphenyl)-2-thiophenesulfonamide
C436-1747 Screening compound: N~2~-[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl]-N~2~-(4-methylphenyl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-1747
N~2~-[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl]-N~2~-(4-methylphenyl)-2-thiophenesulfonamide

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

C436-1747

Molecular Formula

C22H20N4O3S2 (C22 H20 N4 O3 S2)

Compound Name

N~2~-[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl]-N~2~-(4-methylphenyl)-2-thiophenesulfonamide

IUPAC name

N-(4-methylphenyl)-N-(2-oxo-2-{257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-5-yl}ethyl)thiophene-2-sulfonamide

SMILES

Cc(cc1)ccc1N(CC(N1c2nc(cccc3)c3n2CC1)=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C22H20N4O3S2/c1-16-8-10-17(11-9-16)26(31(28,29)21-7-4-14-30-21)15-20(27)25-13-12-24-19-6-3-2-5-18(19)23-22(24)25/h2-11,14H,12-13,15H2,1H3

InChI Key

MTNAROAWYANURE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-3.87

Polar Surface Area

58.161

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

C436-1747 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C436-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-1747?
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What is the minimum amount of C436-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-1747
  • 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 C436-1747 available by request