V031-0464 Screening compound: 1-({[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)hexan-2-ol

V031-0464 Screening compound: 1-({[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)hexan-2-ol
V031-0464 Screening compound: 1-({[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)hexan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0464
1-({[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)hexan-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

V031-0464

Molecular Formula

C27H35F2N3O3 (C27 H35 F2 N3 O3)

Compound Name

1-({[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)hexan-2-ol

IUPAC name

1-({[5-(24-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}(2-methoxyethyl)amino)hexan-2-ol

SMILES

CCCCC(CN(CCOC)Cc(c(CC)nn1-c2ccccc2)c1Oc(ccc(F)c1)c1F)O

InChI

InChI=1S/C27H35F2N3O3/c1-4-6-12-22(33)18-31(15-16-34-3)19-23-25(5-2)30-32(21-10-8-7-9-11-21)27(23)35-26-14-13-20(28)17-24(26)29/h7-11,13-14,17,22,33H,4-6,12,15-16,18-19H2,1-3H3/t22-/m0/s1

InChI Key

RGBAGCWCNROZIK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19883805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-5.29

Polar Surface Area

50.619

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V031-0464 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V031-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0464?
Check Price and Availability of V031-0464, 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 V031-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0464
  • 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 V031-0464 available by request