V013-5850 Screening compound: N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

V013-5850 Screening compound: N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide
V013-5850 Screening compound: N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5850
N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

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

V013-5850

Molecular Formula

C24H20ClF3N4O2S (C24 H20 ClF3 N4 O2 S)

Compound Name

N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-(2-{[7-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1-c1nc(NCCNS(c2cc(C(F)(F)F)ccc2)(=O)=O)c(ccc(Cl)c2)c2n1

InChI

InChI=1S/C24H20ClF3N4O2S/c1-15-5-7-16(8-6-15)22-31-21-14-18(25)9-10-20(21)23(32-22)29-11-12-30-35(33,34)19-4-2-3-17(13-19)24(26,27)28/h2-10,13-14,30H,11-12H2,1H3,(H,29,31,32)

InChI Key

GHWMSIAZBZGSIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19780742

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.331

Distribution Coefficient, logD

6.572

Water Solubility, LogSw

-6.71

Polar Surface Area

70.840

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V013-5850 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V013-5850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5850?
Check Price and Availability of V013-5850, 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 V013-5850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5850
  • 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 V013-5850 available by request