V030-5401 Screening compound: N-{4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide

V030-5401 Screening compound: N-{4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
V030-5401 Screening compound: N-{4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5401
N-{4-[3-(2-methylpropoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}-3-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

V030-5401

Molecular Formula

C26H22F3N5O4 (C26 H22 F3 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc(nc1-c2cccc(C(F)(F)F)c2)nn1-c(cc1)ccc1NC(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C26H22F3N5O4/c1-16(2)15-38-25-31-23(17-5-3-7-19(13-17)26(27,28)29)33(32-25)21-11-9-20(10-12-21)30-24(35)18-6-4-8-22(14-18)34(36)37/h3-14,16H,15H2,1-2H3,(H,30,35)

InChI Key

SVWWCAOTGABZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19758679

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.776

Distribution Coefficient, logD

6.775

Water Solubility, LogSw

-5.84

Polar Surface Area

87.662

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V030-5401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5401?
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What is the minimum amount of V030-5401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5401
  • 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 V030-5401 available by request