6404-0098 Screening compound: 1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazole

6404-0098 Screening compound: 1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazole
6404-0098 Screening compound: 1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0098
1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazole

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

6404-0098

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazole

IUPAC name

5-(4-methylbenzenesulfonyl)-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraene

SMILES

Cc(cc1)ccc1S(N1c2nc(cccc3)c3n2CC1)(=O)=O

InChI

InChI=1S/C16H15N3O2S/c1-12-6-8-13(9-7-12)22(20,21)19-11-10-18-15-5-3-2-4-14(15)17-16(18)19/h2-9H,10-11H2,1H3

InChI Key

SNYRJAMHYHWTAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05239593

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.57

Polar Surface Area

41.684

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

6404-0098 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6404-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0098?
Check Price and Availability of 6404-0098, 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 6404-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0098
  • 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 6404-0098 available by request