5596-1092 Screening compound: 2-methylpropyl 2-(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)acetate

5596-1092 Screening compound: 2-methylpropyl 2-(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)acetate
5596-1092 Screening compound: 2-methylpropyl 2-(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-1092
2-methylpropyl 2-(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)acetate

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

5596-1092

Molecular Formula

C14H15BrN2O3 (C14 H15 BrN2 O3)

Compound Name

2-methylpropyl 2-(6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)acetate

IUPAC name

2-methylpropyl 2-(6-bromo-4-oxo-34-dihydroquinazolin-3-yl)acetate

SMILES

CC(C)COC(CN(C=Nc(cc1)c2cc1Br)C2=O)=O

InChI

InChI=1S/C14H15BrN2O3/c1-9(2)7-20-13(18)6-17-8-16-12-4-3-10(15)5-11(12)14(17)19/h3-5,8-9H,6-7H2,1-2H3

InChI Key

RBALOPZPHHPXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02958599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.792

Water Solubility, LogSw

-3.39

Polar Surface Area

47.145

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

5596-1092 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5596-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-1092?
Check Price and Availability of 5596-1092, 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 5596-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-1092
  • 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 5596-1092 available by request