V001-5732 Screening compound: N-{4-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-2-methylpropanamide

V001-5732 Screening compound: N-{4-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-2-methylpropanamide
V001-5732 Screening compound: N-{4-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5732
N-{4-[5-(3,4-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-2-methylpropanamide

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

V001-5732

Molecular Formula

C27H26Cl2N4O3 (C27 H26 Cl2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(Nc(cc1)ccc1-n(c(-c(cc1)cc(Cl)c1Cl)n1)nc1OCCc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H26Cl2N4O3/c1-17(2)26(34)30-20-7-9-21(10-8-20)33-25(19-6-13-23(28)24(29)16-19)31-27(32-33)36-15-14-18-4-11-22(35-3)12-5-18/h4-13,16-17H,14-15H2,1-3H3,(H,30,34)

InChI Key

NOWJRTMVMRGSHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784459

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.233

Distribution Coefficient, logD

7.233

Water Solubility, LogSw

-6.58

Polar Surface Area

61.743

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V001-5732 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-5732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5732?
Check Price and Availability of V001-5732, 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 V001-5732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5732
  • 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 V001-5732 available by request