V004-4261 Screening compound: [(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methylpropyl)amine

V004-4261 Screening compound: [(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methylpropyl)amine
V004-4261 Screening compound: [(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methylpropyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4261
[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methylpropyl)amine

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

V004-4261

Molecular Formula

C28H35N3O3 (C28 H35 N3 O3)

Compound Name

[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methylpropyl)amine

IUPAC name

[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl](2-methylpropyl)amine

SMILES

CCc(c(CN(CC(C)C)CC(COCC#C)O)c1Oc2ccccc2)nn1-c1ccccc1

InChI

InChI=1S/C28H35N3O3/c1-5-17-33-21-24(32)19-30(18-22(3)4)20-26-27(6-2)29-31(23-13-9-7-10-14-23)28(26)34-25-15-11-8-12-16-25/h1,7-16,22,24,32H,6,17-21H2,2-4H3/t24-/m0/s1

InChI Key

LJCUSVJNKSCJTQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19884862

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.263

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-5.15

Polar Surface Area

50.565

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V004-4261 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-4261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4261?
Check Price and Availability of V004-4261, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-4261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4261
  • 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 V004-4261 available by request