V022-6325 Screening compound: 1-{benzyl[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol

V022-6325 Screening compound: 1-{benzyl[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol
V022-6325 Screening compound: 1-{benzyl[(3-ethyl-5-phenoxy-1-phenyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6325
1-{benzyl[(3-ethyl-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

V022-6325

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(CN(CC(C)O)Cc1ccccc1)c1Oc2ccccc2)nn1-c1ccccc1

InChI

InChI=1S/C28H31N3O2/c1-3-27-26(21-30(19-22(2)32)20-23-13-7-4-8-14-23)28(33-25-17-11-6-12-18-25)31(29-27)24-15-9-5-10-16-24/h4-18,22,32H,3,19-21H2,1-2H3/t22-/m0/s1

InChI Key

LPDZKOYAXNKKET-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19884866

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-5.36

Polar Surface Area

41.799

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V022-6325 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-6325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6325?
Check Price and Availability of V022-6325, 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 V022-6325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6325
  • 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 V022-6325 available by request