6404-0090 Screening compound: (2-bromophenyl)(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone

6404-0090 Screening compound: (2-bromophenyl)(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone
6404-0090 Screening compound: (2-bromophenyl)(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6404-0090
(2-bromophenyl)(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone

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

6404-0090

Molecular Formula

C16H12BrN3O (C16 H12 BrN3 O)

Compound Name

(2-bromophenyl)(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)methanone

IUPAC name

5-(2-bromobenzoyl)-257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraene

SMILES

O=C(c(cccc1)c1Br)N1c2nc(cccc3)c3n2CC1

InChI

InChI=1S/C16H12BrN3O/c17-12-6-2-1-5-11(12)15(21)20-10-9-19-14-8-4-3-7-13(14)18-16(19)20/h1-8H,9-10H2

InChI Key

SPBBOMNLFGBPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05826358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.88

Polar Surface Area

25.845

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6404-0090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6404-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0090?
Check Price and Availability of 6404-0090, 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 6404-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0090
  • 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 6404-0090 available by request