V004-6903 Screening compound: {[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(3-ethoxy-2-hydroxypropyl)(2-methoxyethyl)amine

V004-6903 Screening compound: {[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(3-ethoxy-2-hydroxypropyl)(2-methoxyethyl)amine
V004-6903 Screening compound: {[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(3-ethoxy-2-hydroxypropyl)(2-methoxyethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6903
{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(3-ethoxy-2-hydroxypropyl)(2-methoxyethyl)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

V004-6903

Molecular Formula

C25H31ClFN3O4 (C25 H31 ClFN3 O4)

Compound Name

{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(3-ethoxy-2-hydroxypropyl)(2-methoxyethyl)amine

IUPAC name

{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}(3-ethoxy-2-hydroxypropyl)(2-methoxyethyl)amine

SMILES

CCOCC(CN(CCOC)Cc(c(C)nn1-c(cc2)ccc2Cl)c1Oc1cc(F)ccc1)O

InChI

InChI=1S/C25H31ClFN3O4/c1-4-33-17-22(31)15-29(12-13-32-3)16-24-18(2)28-30(21-10-8-19(26)9-11-21)25(24)34-23-7-5-6-20(27)14-23/h5-11,14,22,31H,4,12-13,15-17H2,1-3H3/t22-/m0/s1

InChI Key

ODIPTOUHFCKALL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19880990

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

3.304

Water Solubility, LogSw

-4.42

Polar Surface Area

57.903

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V004-6903 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-6903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6903?
Check Price and Availability of V004-6903, 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 V004-6903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6903
  • 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 V004-6903 available by request