0450-0001 Screening compound: methyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate

0450-0001 Screening compound: methyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate
0450-0001 Screening compound: methyl 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0450-0001
methyl 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

0450-0001

Molecular Formula

C17H15BrN2O3 (C17 H15 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H15BrN2O3/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

LESCDCDSTRCJKO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00525004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.22

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

3.732

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-3.99

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

0450-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 0450-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0450-0001?
Check Price and Availability of 0450-0001, 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 0450-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0450-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0450-0001
  • 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 0450-0001 available by request