V025-1579 Screening compound: 4-nitro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide

V025-1579 Screening compound: 4-nitro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide
V025-1579 Screening compound: 4-nitro-N-{4-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1579
4-nitro-N-{4-[3-(propan-2-yloxy)-5-[4-(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

V025-1579

Molecular Formula

C25H20F3N5O4 (C25 H20 F3 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C25H20F3N5O4/c1-15(2)37-24-30-22(16-3-7-18(8-4-16)25(26,27)28)32(31-24)20-13-9-19(10-14-20)29-23(34)17-5-11-21(12-6-17)33(35)36/h3-15H,1-2H3,(H,29,34)

InChI Key

DQDUTRXICBDKCN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.261

Water Solubility, LogSw

-5.69

Polar Surface Area

86.965

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V025-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1579?
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What is the minimum amount of V025-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1579
  • 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 V025-1579 available by request