V006-6421 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide

V006-6421 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide
V006-6421 Screening compound: N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6421
N-{[3-ethyl-1-(4-fluorophenyl)-5-(3-methylphenoxy)-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

V006-6421

Molecular Formula

C29H34FN3O3 (C29 H34 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(CC1OCCC1)C(C1CCC1)=O)c1Oc2cc(C)ccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C29H34FN3O3/c1-3-27-26(19-32(18-25-11-6-16-35-25)28(34)21-8-5-9-21)29(36-24-10-4-7-20(2)17-24)33(31-27)23-14-12-22(30)13-15-23/h4,7,10,12-15,17,21,25H,3,5-6,8-9,11,16,18-19H2,1-2H3/t25-/m1/s1

InChI Key

FBZPRNXLLIOKSU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19809098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

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

5.215

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.01

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

44.80

References: we are preparing a list of scientific research reports with V006-6421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6421?
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What is the minimum amount of V006-6421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6421
  • 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 V006-6421 available by request