V003-1594 Screening compound: N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide

V003-1594 Screening compound: N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
V003-1594 Screening compound: N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1594
N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide

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

V003-1594

Molecular Formula

C28H27ClFN3O4 (C28 H27 ClFN3 O4)

Compound Name

N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide

IUPAC name

N-{[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide

SMILES

Cc(c(CN(Cc(cc1)ccc1F)C(COC)=O)c1Oc(cc2)ccc2OC)nn1-c1cccc(Cl)c1

InChI

InChI=1S/C28H27ClFN3O4/c1-19-26(17-32(27(34)18-35-2)16-20-7-9-22(30)10-8-20)28(37-25-13-11-24(36-3)12-14-25)33(31-19)23-6-4-5-21(29)15-23/h4-15H,16-18H2,1-3H3

InChI Key

RADZEJZYBAUIMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-5.20

Polar Surface Area

52.571

Acid Dissociation Constant (pKa)

21.24

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V003-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1594?
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What is the minimum amount of V003-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1594
  • 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 V003-1594 available by request