V016-6519 Screening compound: 4-methoxy-N-{4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide

V016-6519 Screening compound: 4-methoxy-N-{4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide
V016-6519 Screening compound: 4-methoxy-N-{4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6519
4-methoxy-N-{4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}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

V016-6519

Molecular Formula

C26H23F3N4O4 (C26 H23 F3 N4 O4)

Compound Name

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

IUPAC name

4-methoxy-N-{4-[3-(2-methoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}benzamide

SMILES

COCCOc(nc1-c2cccc(C(F)(F)F)c2)nn1-c(cc1)ccc1NC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H23F3N4O4/c1-35-14-15-37-25-31-23(18-4-3-5-19(16-18)26(27,28)29)33(32-25)21-10-8-20(9-11-21)30-24(34)17-6-12-22(36-2)13-7-17/h3-13,16H,14-15H2,1-2H3,(H,30,34)

InChI Key

YJDNCSGKWMMEAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245519

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.49

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

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.74

Polar Surface Area

70.085

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V016-6519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6519?
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What is the minimum amount of V016-6519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6519
  • 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 V016-6519 available by request