5968-0006 Screening compound: 4-(5-benzyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)phenyl methyl ether

5968-0006 Screening compound: 4-(5-benzyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)phenyl methyl ether
5968-0006 Screening compound: 4-(5-benzyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5968-0006
4-(5-benzyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)phenyl methyl ether

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

5968-0006

Molecular Formula

C28H23N3O (C28 H23 N3 O)

Compound Name

4-(5-benzyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)phenyl methyl ether

IUPAC name

8-benzyl-9-(4-methoxyphenyl)-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)2(7)35111315-heptaene

SMILES

COc1ccc(C2N(Cc3ccccc3)c(cccc3)c3-c3nc(cccc4)c4n23)cc1

InChI

InChI=1S/C28H23N3O/c1-32-22-17-15-21(16-18-22)28-30(19-20-9-3-2-4-10-20)25-13-7-5-11-23(25)27-29-24-12-6-8-14-26(24)31(27)28/h2-18,28H,19H2,1H3/t28-/m1/s1

InChI Key

MWBIAKLXCKQCEP-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03693465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.349

Distribution Coefficient, logD

6.345

Water Solubility, LogSw

-5.89

Polar Surface Area

20.365

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

5968-0006 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5968-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5968-0006?
Check Price and Availability of 5968-0006, 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 5968-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5968-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5968-0006
  • 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 5968-0006 available by request