5968-0045 Screening compound: 5-benzyl-6-(2-thienyl)-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline

5968-0045 Screening compound: 5-benzyl-6-(2-thienyl)-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline
5968-0045 Screening compound: 5-benzyl-6-(2-thienyl)-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5968-0045
5-benzyl-6-(2-thienyl)-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

5968-0045

Molecular Formula

C25H19N3S (C25 H19 N3 S)

Compound Name

5-benzyl-6-(2-thienyl)-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazoline

IUPAC name

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

SMILES

C(c1ccccc1)N1c(cccc2)c2-c2nc(cccc3)c3n2C1c1cccs1

InChI

InChI=1S/C25H19N3S/c1-2-9-18(10-3-1)17-27-21-13-6-4-11-19(21)24-26-20-12-5-7-14-22(20)28(24)25(27)23-15-8-16-29-23/h1-16,25H,17H2/t25-/m1/s1

InChI Key

VAXOLFWJYNFQII-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03695430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.960

Distribution Coefficient, logD

5.950

Water Solubility, LogSw

-6.22

Polar Surface Area

13.840

Acid Dissociation Constant (pKa)

22.32

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

5968-0045 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5968-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5968-0045?
Check Price and Availability of 5968-0045, 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 5968-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5968-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5968-0045
  • 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 5968-0045 available by request