8008-5017 Screening compound: 6-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

8008-5017 Screening compound: 6-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
8008-5017 Screening compound: 6-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5017
6-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-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

8008-5017

Molecular Formula

C16H13BrN2O2 (C16 H13 BrN2 O2)

Compound Name

6-bromo-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

IUPAC name

6-bromo-3-(4-methoxyphenyl)-2-methyl-34-dihydroquinazolin-4-one

SMILES

CC(N1c(cc2)ccc2OC)=Nc(ccc(Br)c2)c2C1=O

InChI

InChI=1S/C16H13BrN2O2/c1-10-18-15-8-3-11(17)9-14(15)16(20)19(10)12-4-6-13(21-2)7-5-12/h3-9H,1-2H3

InChI Key

RAPGJQGSDKNYJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.206

Water Solubility, LogSw

-3.64

Polar Surface Area

31.318

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8008-5017 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8008-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5017?
Check Price and Availability of 8008-5017, 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 8008-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5017
  • 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 8008-5017 available by request