C548-3420 Screening compound: N~4~-{[4-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylcarbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

C548-3420 Screening compound: N~4~-{[4-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylcarbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
C548-3420 Screening compound: N~4~-{[4-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylcarbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3420
N~4~-{[4-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylcarbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

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

C548-3420

Molecular Formula

C23H24N6O3S2 (C23 H24 N6 O3 S2)

Compound Name

N~4~-{[4-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-ylcarbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

n/a

SMILES

O=C(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)N1c2nc(cccc3)c3n2CC1

InChI

InChI=1S/C23H24N6O3S2/c30-22(29-13-12-28-19-6-2-1-4-17(19)25-23(28)29)16-10-8-15(9-11-16)14-24-34(31,32)20-7-3-5-18-21(20)27-33-26-18/h1-7,15-16,24H,8-14H2

InChI Key

AUZOEQJAQXGINP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-4.46

Polar Surface Area

88.748

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C548-3420 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C548-3420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3420?
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What is the minimum amount of C548-3420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3420
  • 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 C548-3420 available by request