C646-0001 Screening compound: N-[1-(2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-1-YLCARBONYL)-2-METHYLPROPYL]-2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDE

C646-0001 Screening compound: N-[1-(2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-1-YLCARBONYL)-2-METHYLPROPYL]-2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDE
C646-0001 Screening compound: N-[1-(2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-1-YLCARBONYL)-2-METHYLPROPYL]-2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C646-0001
N-[1-(2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-1-YLCARBONYL)-2-METHYLPROPYL]-2-METHYL-1,3-BENZOTHIAZOLE-6-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

C646-0001

Molecular Formula

C22H23N5O3S2 (C22 H23 N5 O3 S2)

Compound Name

N-[1-(2,3-DIHYDRO-1H-IMIDAZO[1,2-A][1,3]BENZIMIDAZOL-1-YLCARBONYL)-2-METHYLPROPYL]-2-METHYL-1,3-BENZOTHIAZOLE-6-SULFONAMIDE

IUPAC name

n/a

SMILES

CC(C)C(C(N1c2nc(cccc3)c3n2CC1)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C22H23N5O3S2/c1-13(2)20(25-32(29,30)15-8-9-17-19(12-15)31-14(3)23-17)21(28)27-11-10-26-18-7-5-4-6-16(18)24-22(26)27/h4-9,12-13,20,25H,10-11H2,1-3H3/t20-/m0/s1

InChI Key

QLPDOKHABANKGR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14778923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-4.04

Polar Surface Area

76.967

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C646-0001 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C646-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C646-0001?
Check Price and Availability of C646-0001, 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 C646-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C646-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C646-0001
  • 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 C646-0001 available by request