5968-0010 Screening compound: 4-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-2,6-dimethoxyphenyl methyl ether

5968-0010 Screening compound: 4-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-2,6-dimethoxyphenyl methyl ether
5968-0010 Screening compound: 4-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-2,6-dimethoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 5968-0010
4-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-2,6-dimethoxyphenyl 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

5968-0010

Molecular Formula

C23H21N3O3 (C23 H21 N3 O3)

Compound Name

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

IUPAC name

9-(345-trimethoxyphenyl)-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)2(7)35111315-heptaene

SMILES

COc1cc(C(Nc2c-3cccc2)n2c3nc3c2cccc3)cc(OC)c1OC

InChI

InChI=1S/C23H21N3O3/c1-27-19-12-14(13-20(28-2)21(19)29-3)22-24-16-9-5-4-8-15(16)23-25-17-10-6-7-11-18(17)26(22)23/h4-13,22,24H,1-3H3/t22-/m0/s1

InChI Key

KXCNIFMAXYQPCY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03690864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.432

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.45

Polar Surface Area

45.406

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

5968-0010 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5968-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5968-0010?
Check Price and Availability of 5968-0010, 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 5968-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5968-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5968-0010
  • 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 5968-0010 available by request