V004-2104 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide

V004-2104 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide
V004-2104 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2104
N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide

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

V004-2104

Molecular Formula

C29H33F2N3O4 (C29 H33 F2 N3 O4)

Compound Name

N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide

IUPAC name

N-{[5-(24-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide

SMILES

CCc(c(CN(CC1OCCC1)C(C1CCC1)=O)c1Oc(ccc(F)c2)c2F)nn1-c(cc1)ccc1OC

InChI

InChI=1S/C29H33F2N3O4/c1-3-26-24(18-33(17-23-8-5-15-37-23)28(35)19-6-4-7-19)29(38-27-14-9-20(30)16-25(27)31)34(32-26)21-10-12-22(36-2)13-11-21/h9-14,16,19,23H,3-8,15,17-18H2,1-2H3/t23-/m1/s1

InChI Key

DNXGFNGASYHGQF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19806299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.6

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

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.61

Polar Surface Area

54.356

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

V004-2104 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2104?
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What is the minimum amount of V004-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2104
  • 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 V004-2104 available by request