V016-7536 Screening compound: {[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)amine

V016-7536 Screening compound: {[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)amine
V016-7536 Screening compound: {[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7536
{[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)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

V016-7536

Molecular Formula

C27H34FN3O3 (C27 H34 FN3 O3)

Compound Name

{[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)amine

IUPAC name

{[3-ethyl-5-(4-fluorophenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl}[2-hydroxy-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)amine

SMILES

CCc(c(CN(CC(COCC=C)O)C(C)C)c1Oc(cc2)ccc2F)nn1-c1ccccc1

InChI

InChI=1S/C27H34FN3O3/c1-5-16-33-19-23(32)17-30(20(3)4)18-25-26(6-2)29-31(22-10-8-7-9-11-22)27(25)34-24-14-12-21(28)13-15-24/h5,7-15,20,23,32H,1,6,16-19H2,2-4H3/t23-/m0/s1

InChI Key

BVJKDPGECPFZEW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19887315

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.58

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

5.001

Distribution Coefficient, logD

2.991

Water Solubility, LogSw

-4.55

Polar Surface Area

50.200

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V016-7536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7536?
Check Price and Availability of V016-7536, 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 V016-7536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7536
  • 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 V016-7536 available by request