0450-0014 Screening compound: 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetic acid

0450-0014 Screening compound: 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetic acid
0450-0014 Screening compound: 2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0450-0014
2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetic acid

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

0450-0014

Molecular Formula

C16H13BrN2O3 (C16 H13 BrN2 O3)

Compound Name

2-(6-bromo-2-oxo-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl)acetic acid

IUPAC name

2-(6-bromo-2-oxo-4-phenyl-1234-tetrahydroquinazolin-3-yl)acetic acid

SMILES

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

InChI

InChI=1S/C16H13BrN2O3/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(9-14(20)21)16(22)18-13/h1-8,15H,9H2,(H,18,22)(H,20,21)/t15-/m0/s1

InChI Key

KIGAQBWTEAOVHD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00981606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

-1.004

Water Solubility, LogSw

-2.99

Polar Surface Area

55.661

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

0450-0014 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 0450-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0450-0014?
Check Price and Availability of 0450-0014, 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 0450-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0450-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0450-0014
  • 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 0450-0014 available by request