V004-5125 Screening compound: 1-({[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino)-2-methylbut-3-en-2-ol

V004-5125 Screening compound: 1-({[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino)-2-methylbut-3-en-2-ol
V004-5125 Screening compound: 1-({[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino)-2-methylbut-3-en-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5125
1-({[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino)-2-methylbut-3-en-2-ol

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

V004-5125

Molecular Formula

C26H32ClN3O3 (C26 H32 ClN3 O3)

Compound Name

1-({[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino)-2-methylbut-3-en-2-ol

IUPAC name

1-({[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(propyl)amino)-2-methylbut-3-en-2-ol

SMILES

CCCN(CC(C)(C=C)O)Cc(c(C)nn1-c2cccc(Cl)c2)c1Oc(cc1)ccc1OC

InChI

InChI=1S/C26H32ClN3O3/c1-6-15-29(18-26(4,31)7-2)17-24-19(3)28-30(21-10-8-9-20(27)16-21)25(24)33-23-13-11-22(32-5)12-14-23/h7-14,16,31H,2,6,15,17-18H2,1,3-5H3/t26-/m1/s1

InChI Key

KGCDANZMLGKUDB-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19882178

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-5.59

Polar Surface Area

48.754

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.62

References: we are preparing a list of scientific research reports with V004-5125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5125?
Check Price and Availability of V004-5125, 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 V004-5125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5125
  • 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 V004-5125 available by request