V004-3972 Screening compound: 1-{benzyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol

V004-3972 Screening compound: 1-{benzyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol
V004-3972 Screening compound: 1-{benzyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3972
1-{benzyl[(3-methyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-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

V004-3972

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(Cc(c(C)nn1-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1)O

InChI

InChI=1S/C27H29N3O2/c1-21(31)18-29(19-23-12-6-3-7-13-23)20-26-22(2)28-30(24-14-8-4-9-15-24)27(26)32-25-16-10-5-11-17-25/h3-17,21,31H,18-20H2,1-2H3/t21-/m0/s1

InChI Key

BUWXARCNYRRJMM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19885914

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.45

Polar Surface Area

41.110

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V004-3972 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-3972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3972?
Check Price and Availability of V004-3972, 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 V004-3972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3972
  • 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 V004-3972 available by request