V015-8248 Screening compound: [2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]({[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl})propylamine

V015-8248 Screening compound: [2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]({[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl})propylamine
V015-8248 Screening compound: [2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]({[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl})propylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-8248
[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]({[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl})propylamine

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

V015-8248

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]({[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl})propylamine

IUPAC name

[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]({[1-methyl-5-(3-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl})propylamine

SMILES

CCCN(CC(COCC#C)O)Cc(c(-c1ccccc1)nn1C)c1Oc1cc(C)ccc1

InChI

InChI=1S/C27H33N3O3/c1-5-15-30(18-23(31)20-32-16-6-2)19-25-26(22-12-8-7-9-13-22)28-29(4)27(25)33-24-14-10-11-21(3)17-24/h2,7-14,17,23,31H,5,15-16,18-20H2,1,3-4H3/t23-/m0/s1

InChI Key

CVJWYTGLKWDKDA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19881815

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

2.483

Water Solubility, LogSw

-4.39

Polar Surface Area

50.198

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V015-8248 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-8248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-8248?
Check Price and Availability of V015-8248, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-8248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-8248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-8248
  • 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 V015-8248 available by request