6893-0089 Screening compound: 2-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol

6893-0089 Screening compound: 2-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol
6893-0089 Screening compound: 2-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6893-0089
2-(5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol

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

6893-0089

Molecular Formula

C20H14N4O3 (C20 H14 N4 O3)

Compound Name

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

IUPAC name

4-nitro-2-{81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)2(7)35111315-heptaen-9-yl}phenol

SMILES

[O-][N+](c(cc1)cc(C(Nc2c-3cccc2)n2c3nc3c2cccc3)c1O)=O

InChI

InChI=1S/C20H14N4O3/c25-18-10-9-12(24(26)27)11-14(18)20-21-15-6-2-1-5-13(15)19-22-16-7-3-4-8-17(16)23(19)20/h1-11,20-21,25H/t20-/m0/s1

InChI Key

WZQOEGSHGIETJO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04188105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.17

Polar Surface Area

72.358

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

6893-0089 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 6893-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6893-0089?
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What is the minimum amount of 6893-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6893-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6893-0089
  • 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 6893-0089 available by request