V004-5526 Screening compound: N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2,6-dimethoxybenzamide

V004-5526 Screening compound: N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2,6-dimethoxybenzamide
V004-5526 Screening compound: N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2,6-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5526
N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2,6-dimethoxybenzamide

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

V004-5526

Molecular Formula

C26H23F3N4O4 (C26 H23 F3 N4 O4)

Compound Name

N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2,6-dimethoxybenzamide

IUPAC name

N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl}phenyl)-26-dimethoxybenzamide

SMILES

CCOc(nc1-c2cccc(C(F)(F)F)c2)nn1-c(cc1)ccc1NC(c(c(OC)ccc1)c1OC)=O

InChI

InChI=1S/C26H23F3N4O4/c1-4-37-25-31-23(16-7-5-8-17(15-16)26(27,28)29)33(32-25)19-13-11-18(12-14-19)30-24(34)22-20(35-2)9-6-10-21(22)36-3/h5-15H,4H2,1-3H3,(H,30,34)

InChI Key

ZLMUYWLEPAKSMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19765887

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.55

Polar Surface Area

69.166

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V004-5526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5526?
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What is the minimum amount of V004-5526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5526
  • 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 V004-5526 available by request