V017-6445 Screening compound: N-{4-[5-(2-methylphenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}tetradecanamide

V017-6445 Screening compound: N-{4-[5-(2-methylphenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}tetradecanamide
V017-6445 Screening compound: N-{4-[5-(2-methylphenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}tetradecanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6445
N-{4-[5-(2-methylphenyl)-3-(propan-2-yloxy)-1H-1,2,4-triazol-1-yl]phenyl}tetradecanamide

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

V017-6445

Molecular Formula

C32H46N4O2 (C32 H46 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCCCCCCC(Nc(cc1)ccc1-n(c(-c1c(C)cccc1)n1)nc1OC(C)C)=O

InChI

InChI=1S/C32H46N4O2/c1-5-6-7-8-9-10-11-12-13-14-15-20-30(37)33-27-21-23-28(24-22-27)36-31(29-19-17-16-18-26(29)4)34-32(35-36)38-25(2)3/h16-19,21-25H,5-15,20H2,1-4H3,(H,33,37)

InChI Key

HKCRFMPHEAPMEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245452

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.757

Distribution Coefficient, logD

9.757

Water Solubility, LogSw

-5.85

Polar Surface Area

53.642

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.10

References: we are preparing a list of scientific research reports with V017-6445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6445?
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What is the minimum amount of V017-6445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6445
  • 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 V017-6445 available by request