K832-3089 Screening compound: 12-(2-ethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

K832-3089 Screening compound: 12-(2-ethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one
K832-3089 Screening compound: 12-(2-ethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3089
12-(2-ethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

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

K832-3089

Molecular Formula

C22H21N3O2 (C22 H21 N3 O2)

Compound Name

12-(2-ethoxyphenyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

IUPAC name

9-(2-ethoxyphenyl)-21017-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)11(16)1214-pentaen-7-one

SMILES

CCOc1c(C(C(C(CCC2)=O)=C2N2)n3c2nc2c3cccc2)cccc1

InChI

InChI=1S/C22H21N3O2/c1-2-27-19-13-6-3-8-14(19)21-20-16(10-7-12-18(20)26)24-22-23-15-9-4-5-11-17(15)25(21)22/h3-6,8-9,11,13,21H,2,7,10,12H2,1H3,(H,23,24)/t21-/m0/s1

InChI Key

PPLUNLOFBAGTIY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15110067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.34

Polar Surface Area

44.812

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

K832-3089 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with K832-3089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3089?
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What is the minimum amount of K832-3089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3089
  • 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 K832-3089 available by request