6893-0055 Screening compound: 2-(5-ethyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol

6893-0055 Screening compound: 2-(5-ethyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol
6893-0055 Screening compound: 2-(5-ethyl-5,6-dihydro[1,3]benzimidazo[1,2-c]quinazolin-6-yl)-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6893-0055
2-(5-ethyl-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

6893-0055

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

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

IUPAC name

2-{8-ethyl-81017-triazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)2(7)35111315-heptaen-9-yl}-4-nitrophenol

SMILES

CCN1c(cccc2)c2-c2nc(cccc3)c3n2C1c(cc(cc1)[N+]([O-])=O)c1O

InChI

InChI=1S/C22H18N4O3/c1-2-24-18-9-5-3-7-15(18)21-23-17-8-4-6-10-19(17)25(21)22(24)16-13-14(26(28)29)11-12-20(16)27/h3-13,22,27H,2H2,1H3/t22-/m1/s1

InChI Key

VXZAZQDSIRDWLB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04175875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.39

Polar Surface Area

62.747

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

6893-0055 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 6893-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6893-0055?
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What is the minimum amount of 6893-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6893-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6893-0055
  • 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 6893-0055 available by request