V026-1549 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

V026-1549 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
V026-1549 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1549
N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

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

V026-1549

Molecular Formula

C25H22FN5O5 (C25 H22 FN5 O5)

Compound Name

N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide

IUPAC name

N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-124-triazol-1-yl]phenyl}-4-nitrobenzamide

SMILES

CCOCCOc(nc1-c(cc2)ccc2F)nn1-c(cc1)ccc1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C25H22FN5O5/c1-2-35-15-16-36-25-28-23(17-3-7-19(26)8-4-17)30(29-25)21-13-9-20(10-14-21)27-24(32)18-5-11-22(12-6-18)31(33)34/h3-14H,2,15-16H2,1H3,(H,27,32)

InChI Key

ISJDPPWQPCEPMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782699

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.62

Polar Surface Area

95.558

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V026-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1549?
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What is the minimum amount of V026-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1549
  • 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 V026-1549 available by request