V029-9558 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-(trifluoromethyl)benzamide

V029-9558 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-(trifluoromethyl)benzamide
V029-9558 Screening compound: N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9558
N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-(trifluoromethyl)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

V029-9558

Molecular Formula

C28H27F3N4O3 (C28 H27 F3 N4 O3)

Compound Name

N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-(trifluoromethyl)benzamide

IUPAC name

N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-124-triazol-1-yl]phenyl}-4-methyl-3-(trifluoromethyl)benzamide

SMILES

CCOCCOc(nc1-c2c(C)cccc2)nn1-c1cccc(NC(c2cc(C(F)(F)F)c(C)cc2)=O)c1

InChI

InChI=1S/C28H27F3N4O3/c1-4-37-14-15-38-27-33-25(23-11-6-5-8-18(23)2)35(34-27)22-10-7-9-21(17-22)32-26(36)20-13-12-19(3)24(16-20)28(29,30)31/h5-13,16-17H,4,14-15H2,1-3H3,(H,32,36)

InChI Key

SHSYNJBAWWBDQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790598

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.514

Distribution Coefficient, logD

6.514

Water Solubility, LogSw

-5.68

Polar Surface Area

62.176

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V029-9558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9558?
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What is the minimum amount of V029-9558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9558
  • 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 V029-9558 available by request