0608-0081 Screening compound: ethyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate

0608-0081 Screening compound: ethyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate
0608-0081 Screening compound: ethyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0608-0081
ethyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-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

0608-0081

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

ethyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate

IUPAC name

ethyl 2-(6-bromo-2-oxo-4-phenyl-1234-tetrahydroquinazolin-3-yl)acetate

SMILES

CCOC(CN(C(c1ccccc1)c(cc(cc1)Br)c1N1)C1=O)=O

InChI

InChI=1S/C18H17BrN2O3/c1-2-24-16(22)11-21-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20-18(21)23/h3-10,17H,2,11H2,1H3,(H,20,23)/t17-/m0/s1

InChI Key

SRKWSZOCXMRUBK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00524976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.267

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.12

Polar Surface Area

47.436

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

0608-0081 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0608-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0608-0081?
Check Price and Availability of 0608-0081, 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 0608-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0608-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0608-0081
  • 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 0608-0081 available by request