8586-0010 Screening compound: 1-[(2-bromophenyl)methyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one

8586-0010 Screening compound: 1-[(2-bromophenyl)methyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one
8586-0010 Screening compound: 1-[(2-bromophenyl)methyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8586-0010
1-[(2-bromophenyl)methyl]-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

8586-0010

Molecular Formula

C17H14BrN3O (C17 H14 BrN3 O)

Compound Name

1-[(2-bromophenyl)methyl]-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-5-one

IUPAC name

1-[(2-bromophenyl)methyl]-1H2H3H5H-imidazo[21-b]quinazolin-5-one

SMILES

O=C1N(CCN2Cc(cccc3)c3Br)C2=Nc2c1cccc2

InChI

InChI=1S/C17H14BrN3O/c18-14-7-3-1-5-12(14)11-20-9-10-21-16(22)13-6-2-4-8-15(13)19-17(20)21/h1-8H,9-11H2

InChI Key

UUFYIPQQRYOCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09848808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.52

Polar Surface Area

30.291

Acid Dissociation Constant (pKa)

31.79

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8586-0010 in Drug Discovery

Included in Screening Libraries

Crystallographic and 19F NMR fragment-libraries (624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8586-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8586-0010?
Check Price and Availability of 8586-0010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8586-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8586-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8586-0010
  • 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 8586-0010 available by request