V026-3783 Screening compound: N-{3-[3-isobutoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

V026-3783 Screening compound: N-{3-[3-isobutoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide
V026-3783 Screening compound: N-{3-[3-isobutoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3783
N-{3-[3-isobutoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-(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

V026-3783

Molecular Formula

C27H25F3N4O3 (C27 H25 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc(nc1-c2cc(OC)ccc2)nn1-c1cccc(NC(c2ccc(C(F)(F)F)cc2)=O)c1

InChI

InChI=1S/C27H25F3N4O3/c1-17(2)16-37-26-32-24(19-6-4-9-23(14-19)36-3)34(33-26)22-8-5-7-21(15-22)31-25(35)18-10-12-20(13-11-18)27(28,29)30/h4-15,17H,16H2,1-3H3,(H,31,35)

InChI Key

BVHKHXAIRXQXRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19780688

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.193

Distribution Coefficient, logD

7.193

Water Solubility, LogSw

-5.75

Polar Surface Area

61.824

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with V026-3783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3783?
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What is the minimum amount of V026-3783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3783
  • 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 V026-3783 available by request