V004-2128 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide

V004-2128 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide
V004-2128 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2128
N-{[3-ethyl-1-(4-fluorophenyl)-5-phenoxy-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

V004-2128

Molecular Formula

C28H32FN3O3 (C28 H32 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(CC1OCCC1)C(C1CCC1)=O)c1Oc2ccccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C28H32FN3O3/c1-2-26-25(19-31(18-24-12-7-17-34-24)27(33)20-8-6-9-20)28(35-23-10-4-3-5-11-23)32(30-26)22-15-13-21(29)14-16-22/h3-5,10-11,13-16,20,24H,2,6-9,12,17-19H2,1H3/t24-/m1/s1

InChI Key

AVEGBHHKGXLVJM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19802488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-4.50

Polar Surface Area

46.726

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with V004-2128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2128?
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What is the minimum amount of V004-2128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2128
  • 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 V004-2128 available by request