V013-8452 Screening compound: N-{2-[(2-benzyl-7-chloroquinazolin-4-yl)amino]ethyl}-2-(4-fluorophenyl)acetamide

V013-8452 Screening compound: N-{2-[(2-benzyl-7-chloroquinazolin-4-yl)amino]ethyl}-2-(4-fluorophenyl)acetamide
V013-8452 Screening compound: N-{2-[(2-benzyl-7-chloroquinazolin-4-yl)amino]ethyl}-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8452
N-{2-[(2-benzyl-7-chloroquinazolin-4-yl)amino]ethyl}-2-(4-fluorophenyl)acetamide

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

V013-8452

Molecular Formula

C25H22ClFN4O (C25 H22 ClFN4 O)

Compound Name

N-{2-[(2-benzyl-7-chloroquinazolin-4-yl)amino]ethyl}-2-(4-fluorophenyl)acetamide

IUPAC name

N-{2-[(2-benzyl-7-chloroquinazolin-4-yl)amino]ethyl}-2-(4-fluorophenyl)acetamide

SMILES

O=C(Cc(cc1)ccc1F)NCCNc1c(ccc(Cl)c2)c2nc(Cc2ccccc2)n1

InChI

InChI=1S/C25H22ClFN4O/c26-19-8-11-21-22(16-19)30-23(14-17-4-2-1-3-5-17)31-25(21)29-13-12-28-24(32)15-18-6-9-20(27)10-7-18/h1-11,16H,12-15H2,(H,28,32)(H,29,30,31)

InChI Key

SVLUIOFXYLRYGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19780803

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.973

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-5.16

Polar Surface Area

54.272

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V013-8452 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with V013-8452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8452?
Check Price and Availability of V013-8452, 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 V013-8452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8452
  • 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 V013-8452 available by request