V004-1106 Screening compound: N-{4-[5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide

V004-1106 Screening compound: N-{4-[5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide
V004-1106 Screening compound: N-{4-[5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1106
N-{4-[5-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethoxy]-1H-1,2,4-triazol-1-yl]phenyl}-4-methoxybenzamide

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

V004-1106

Molecular Formula

C31H27FN4O4 (C31 H27 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CCOc(nc2-c(cccc3)c3F)nn2-c(cc2)ccc2NC(c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C31H27FN4O4/c1-38-25-15-7-21(8-16-25)19-20-40-31-34-29(27-5-3-4-6-28(27)32)36(35-31)24-13-11-23(12-14-24)33-30(37)22-9-17-26(39-2)18-10-22/h3-18H,19-20H2,1-2H3,(H,33,37)

InChI Key

SIARPEMVESROBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782583

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.365

Distribution Coefficient, logD

6.365

Water Solubility, LogSw

-5.60

Polar Surface Area

69.015

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V004-1106 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V004-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1106?
Check Price and Availability of V004-1106, 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 V004-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1106
  • 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 V004-1106 available by request