V008-8312 Screening compound: N-(4-{3-[(4-fluorophenyl)methoxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide

V008-8312 Screening compound: N-(4-{3-[(4-fluorophenyl)methoxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
V008-8312 Screening compound: N-(4-{3-[(4-fluorophenyl)methoxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8312
N-(4-{3-[(4-fluorophenyl)methoxy]-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

V008-8312

Molecular Formula

C29H19F4N5O4 (C29 H19 F4 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(C(Nc(cc2)ccc2-n(c(-c2cc(C(F)(F)F)ccc2)n2)nc2OCc(cc2)ccc2F)=O)c1)=O

InChI

InChI=1S/C29H19F4N5O4/c30-22-9-7-18(8-10-22)17-42-28-35-26(19-3-1-5-21(15-19)29(31,32)33)37(36-28)24-13-11-23(12-14-24)34-27(39)20-4-2-6-25(16-20)38(40)41/h1-16H,17H2,(H,34,39)

InChI Key

AAQKYWNCOVNOEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784748

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.49

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

7.087

Distribution Coefficient, logD

7.086

Water Solubility, LogSw

-6.30

Polar Surface Area

87.390

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

References: we are preparing a list of scientific research reports with V008-8312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8312?
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What is the minimum amount of V008-8312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8312
  • 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 V008-8312 available by request