V004-3962 Screening compound: 1-{cyclopropyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-phenoxypropan-2-ol

V004-3962 Screening compound: 1-{cyclopropyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-phenoxypropan-2-ol
V004-3962 Screening compound: 1-{cyclopropyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3962
1-{cyclopropyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-phenoxypropan-2-ol

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

V004-3962

Molecular Formula

C29H31N3O3 (C29 H31 N3 O3)

Compound Name

1-{cyclopropyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-phenoxypropan-2-ol

IUPAC name

1-{cyclopropyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}-3-phenoxypropan-2-ol

SMILES

Cc(c(CN(CC(COc1ccccc1)O)C1CC1)c1Oc2ccccc2)nn1-c1ccccc1

InChI

InChI=1S/C29H31N3O3/c1-22-28(20-31(23-17-18-23)19-25(33)21-34-26-13-7-3-8-14-26)29(35-27-15-9-4-10-16-27)32(30-22)24-11-5-2-6-12-24/h2-16,23,25,33H,17-21H2,1H3/t25-/m0/s1

InChI Key

JHIBOSHTYMPWCE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19882139

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-5.54

Polar Surface Area

47.946

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V004-3962 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-3962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3962?
Check Price and Availability of V004-3962, 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 V004-3962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3962
  • 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 V004-3962 available by request