6893-0084 Screening compound: 6-butyl-6-methyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline

6893-0084 Screening compound: 6-butyl-6-methyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline
6893-0084 Screening compound: 6-butyl-6-methyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6893-0084
6-butyl-6-methyl-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

6893-0084

Molecular Formula

C19H21N3 (C19 H21 N3)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(C)(Nc1c-2cccc1)n1c2nc2c1cccc2

InChI

InChI=1S/C19H21N3/c1-3-4-13-19(2)21-15-10-6-5-9-14(15)18-20-16-11-7-8-12-17(16)22(18)19/h5-12,21H,3-4,13H2,1-2H3/t19-/m0/s1

InChI Key

NHGLRJZOSKWTRG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04179976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.4

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.15

Polar Surface Area

22.382

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

6893-0084 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6893-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6893-0084?
Check Price and Availability of 6893-0084, 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 6893-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6893-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6893-0084
  • 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 6893-0084 available by request