6893-0066 Screening compound: 6-methyl-6-phenyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline

6893-0066 Screening compound: 6-methyl-6-phenyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline
6893-0066 Screening compound: 6-methyl-6-phenyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6893-0066
6-methyl-6-phenyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline

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

6893-0066

Molecular Formula

C21H17N3 (C21 H17 N3)

Compound Name

6-methyl-6-phenyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline

IUPAC name

9-methyl-9-phenyl-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)2(7)35111315-heptaene

SMILES

CC(c1ccccc1)(Nc1c-2cccc1)n1c2nc2c1cccc2

InChI

InChI=1S/C21H17N3/c1-21(15-9-3-2-4-10-15)23-17-12-6-5-11-16(17)20-22-18-13-7-8-14-19(18)24(20)21/h2-14,23H,1H3/t21-/m0/s1

InChI Key

LQFKPVQRHTZUFB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04185540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-5.22

Polar Surface Area

22.052

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

6893-0066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6893-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6893-0066?
Check Price and Availability of 6893-0066, 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 6893-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6893-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6893-0066
  • 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 6893-0066 available by request