V027-0057 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

V027-0057 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide
V027-0057 Screening compound: N-{3-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0057
N-{3-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

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

V027-0057

Molecular Formula

C31H23Cl2F3N4O3 (C31 H23 Cl2 F3 N4 O3)

Compound Name

N-{3-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

IUPAC name

N-{3-[5-(34-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-124-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

SMILES

COc1ccc(CCOc(nc2-c(cc3)cc(Cl)c3Cl)nn2-c2cc(NC(c3ccc(C(F)(F)F)cc3)=O)ccc2)cc1

InChI

InChI=1S/C31H23Cl2F3N4O3/c1-42-25-12-5-19(6-13-25)15-16-43-30-38-28(21-9-14-26(32)27(33)17-21)40(39-30)24-4-2-3-23(18-24)37-29(41)20-7-10-22(11-8-20)31(34,35)36/h2-14,17-18H,15-16H2,1H3,(H,37,41)

InChI Key

CORSZNIMKPBQOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784372

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

627.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.997

Distribution Coefficient, logD

8.997

Water Solubility, LogSw

-6.64

Polar Surface Area

61.471

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V027-0057 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V027-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0057?
Check Price and Availability of V027-0057, 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 V027-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0057
  • 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 V027-0057 available by request