8018-5342 Screening compound: 12-(4-pyridyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one

8018-5342 Screening compound: 12-(4-pyridyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one
8018-5342 Screening compound: 12-(4-pyridyl)-3,4,5,12-tetrahydro[1,3]benzimidazo[2,1-b]quinazolin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5342
12-(4-pyridyl)-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

8018-5342

Molecular Formula

C19H16N4O (C19 H16 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1)C2=C1Nc1nc(cccc3)c3n1C2c1ccncc1

InChI

InChI=1S/C19H16N4O/c24-16-7-3-5-14-17(16)18(12-8-10-20-11-9-12)23-15-6-2-1-4-13(15)21-19(23)22-14/h1-2,4,6,8-11,18H,3,5,7H2,(H,21,22)/t18-/m0/s1

InChI Key

XIJQQDHEMLDADR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04172666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.15

Polar Surface Area

47.030

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8018-5342 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-5342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5342?
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What is the minimum amount of 8018-5342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5342
  • 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 8018-5342 available by request