K832-3162 Screening compound: 12-(4-ethoxy-3-methoxyphenyl)-3,3-dimethyl-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

K832-3162 Screening compound: 12-(4-ethoxy-3-methoxyphenyl)-3,3-dimethyl-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one
K832-3162 Screening compound: 12-(4-ethoxy-3-methoxyphenyl)-3,3-dimethyl-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K832-3162
12-(4-ethoxy-3-methoxyphenyl)-3,3-dimethyl-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

K832-3162

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

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

IUPAC name

9-(4-ethoxy-3-methoxyphenyl)-55-dimethyl-21017-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)3(8)11(16)1214-pentaen-7-one

SMILES

CCOc(ccc(C(C(C(CC(C)(C)C1)=O)=C1N1)n2c1nc1c2cccc1)c1)c1OC

InChI

InChI=1S/C25H27N3O3/c1-5-31-20-11-10-15(12-21(20)30-4)23-22-17(13-25(2,3)14-19(22)29)27-24-26-16-8-6-7-9-18(16)28(23)24/h6-12,23H,5,13-14H2,1-4H3,(H,26,27)/t23-/m0/s1

InChI Key

DNFQQFVBNVMCSG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15110072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.43

Polar Surface Area

52.442

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

K832-3162 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K832-3162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K832-3162?
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What is the minimum amount of K832-3162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K832-3162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K832-3162
  • 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 K832-3162 available by request