2580-0002 Screening compound: 4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic acid

2580-0002 Screening compound: 4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic acid
2580-0002 Screening compound: 4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2580-0002
4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic 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

2580-0002

Molecular Formula

C21H14BrN3O2 (C21 H14 BrN3 O2)

Compound Name

4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic acid

IUPAC name

4-[(6-bromo-4-phenylquinazolin-2-yl)amino]benzoic acid

SMILES

OC(c(cc1)ccc1Nc1nc(-c2ccccc2)c(cc(cc2)Br)c2n1)=O

InChI

InChI=1S/C21H14BrN3O2/c22-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)25-21(24-18)23-16-9-6-14(7-10-16)20(26)27/h1-12H,(H,26,27)(H,23,24,25)

InChI Key

QQUBTOQQOGRENN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-5.99

Polar Surface Area

57.478

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2580-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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:
  • Nervous system
  • Eye
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2580-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2580-0002?
Check Price and Availability of 2580-0002, 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 2580-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2580-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2580-0002
  • 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 2580-0002 available by request