V003-1084 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopropanecarboxamide

V003-1084 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopropanecarboxamide
V003-1084 Screening compound: N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1084
N-{[5-(2,4-difluorophenoxy)-3-ethyl-1-phenyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclopropanecarboxamide

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

V003-1084

Molecular Formula

C27H29F2N3O3 (C27 H29 F2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(CC1OCCC1)C(C1CC1)=O)c1Oc(ccc(F)c2)c2F)nn1-c1ccccc1

InChI

InChI=1S/C27H29F2N3O3/c1-2-24-22(17-31(26(33)18-10-11-18)16-21-9-6-14-34-21)27(32(30-24)20-7-4-3-5-8-20)35-25-13-12-19(28)15-23(25)29/h3-5,7-8,12-13,15,18,21H,2,6,9-11,14,16-17H2,1H3/t21-/m1/s1

InChI Key

NSWVUEGYYAMONV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19804808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.54

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

4.774

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.67

Polar Surface Area

46.813

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V003-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1084?
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What is the minimum amount of V003-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1084
  • 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 V003-1084 available by request