V013-6803 Screening compound: [3-(benzyloxy)-2-hydroxypropyl]({[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methylpropyl)amine

V013-6803 Screening compound: [3-(benzyloxy)-2-hydroxypropyl]({[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methylpropyl)amine
V013-6803 Screening compound: [3-(benzyloxy)-2-hydroxypropyl]({[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methylpropyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6803
[3-(benzyloxy)-2-hydroxypropyl]({[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methylpropyl)amine

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

V013-6803

Molecular Formula

C32H39N3O4 (C32 H39 N3 O4)

Compound Name

[3-(benzyloxy)-2-hydroxypropyl]({[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methylpropyl)amine

IUPAC name

[3-(benzyloxy)-2-hydroxypropyl]({[5-(4-methoxyphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl})(2-methylpropyl)amine

SMILES

CC(C)CN(CC(COCc1ccccc1)O)Cc(c(C)nn1-c2ccccc2)c1Oc(cc1)ccc1OC

InChI

InChI=1S/C32H39N3O4/c1-24(2)19-34(20-28(36)23-38-22-26-11-7-5-8-12-26)21-31-25(3)33-35(27-13-9-6-10-14-27)32(31)39-30-17-15-29(37-4)16-18-30/h5-18,24,28,36H,19-23H2,1-4H3/t28-/m0/s1

InChI Key

BHTWEZKQXFIGPK-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19881048

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.022

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-5.67

Polar Surface Area

57.229

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

References: we are preparing a list of scientific research reports with V013-6803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6803?
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What is the minimum amount of V013-6803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6803
  • 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 V013-6803 available by request