6339-0081 Screening compound: methyl 2-(6-chloro-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate

6339-0081 Screening compound: methyl 2-(6-chloro-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate
6339-0081 Screening compound: methyl 2-(6-chloro-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6339-0081
methyl 2-(6-chloro-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

6339-0081

Molecular Formula

C17H15ClN2O3 (C17 H15 ClN2 O3)

Compound Name

methyl 2-(6-chloro-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate

IUPAC name

methyl 2-(6-chloro-2-oxo-4-phenyl-1234-tetrahydroquinazolin-3-yl)acetate

SMILES

COC(CN(C(c1ccccc1)c(cc(cc1)Cl)c1N1)C1=O)=O

InChI

InChI=1S/C17H15ClN2O3/c1-23-15(21)10-20-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-17(20)22/h2-9,16H,10H2,1H3,(H,19,22)/t16-/m0/s1

InChI Key

JRMJFPRLKCGTEW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00525005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.605

Distribution Coefficient, logD

3.605

Water Solubility, LogSw

-3.90

Polar Surface Area

47.857

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

6339-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6339-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6339-0081?
Check Price and Availability of 6339-0081, 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 6339-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6339-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6339-0081
  • 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 6339-0081 available by request