V017-6119 Screening compound: N-{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine

V017-6119 Screening compound: N-{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine
V017-6119 Screening compound: N-{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6119
N-{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine

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

V017-6119

Molecular Formula

C26H27F2N3O3 (C26 H27 F2 N3 O3)

Compound Name

N-{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine

IUPAC name

N-{[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]cyclopropanamine

SMILES

Cc(c(CN(CC(COCC#C)O)C1CC1)c1Oc(cc2)ccc2F)nn1-c(cc1)ccc1F

InChI

InChI=1S/C26H27F2N3O3/c1-3-14-33-17-23(32)15-30(21-10-11-21)16-25-18(2)29-31(22-8-4-19(27)5-9-22)26(25)34-24-12-6-20(28)7-13-24/h1,4-9,12-13,21,23,32H,10-11,14-17H2,2H3/t23-/m0/s1

InChI Key

QXHKPFYDLLJRFA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19887734

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

3.847

Water Solubility, LogSw

-4.32

Polar Surface Area

49.072

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V017-6119 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V017-6119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6119?
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What is the minimum amount of V017-6119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6119
  • 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 V017-6119 available by request