8586-0036 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one

8586-0036 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one
8586-0036 Screening compound: 1-[2-(2-chlorophenoxy)ethyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8586-0036
1-[2-(2-chlorophenoxy)ethyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-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

8586-0036

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

1-[2-(2-chlorophenoxy)ethyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one

IUPAC name

1-[2-(2-chlorophenoxy)ethyl]-1H2H3H5H-imidazo[21-b]quinazolin-5-one

SMILES

O=C1N(CCN2CCOc(cccc3)c3Cl)C2=Nc2c1cccc2

InChI

InChI=1S/C18H16ClN3O2/c19-14-6-2-4-8-16(14)24-12-11-21-9-10-22-17(23)13-5-1-3-7-15(13)20-18(21)22/h1-8H,9-12H2

InChI Key

ILQKSLRZIFGDEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.73

Polar Surface Area

37.773

Acid Dissociation Constant (pKa)

30.92

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8586-0036 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8586-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8586-0036?
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What is the minimum amount of 8586-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8586-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8586-0036
  • 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 8586-0036 available by request