V025-9052 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})(propan-2-yl)amine

V025-9052 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})(propan-2-yl)amine
V025-9052 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl]({[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})(propan-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9052
[(2H-1,3-benzodioxol-5-yl)methyl]({[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})(propan-2-yl)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

V025-9052

Molecular Formula

C29H39N5O2 (C29 H39 N5 O2)

Compound Name

[(2H-1,3-benzodioxol-5-yl)methyl]({[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})(propan-2-yl)amine

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl]({[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenyl-1H-pyrazol-4-yl]methyl})(propan-2-yl)amine

SMILES

CCc(c(CN(Cc(cc1)cc2c1OCO2)C(C)C)c1N2CCN(CC)CC2)nn1-c1ccccc1

InChI

InChI=1S/C29H39N5O2/c1-5-26-25(20-33(22(3)4)19-23-12-13-27-28(18-23)36-21-35-27)29(32-16-14-31(6-2)15-17-32)34(30-26)24-10-8-7-9-11-24/h7-13,18,22H,5-6,14-17,19-21H2,1-4H3

InChI Key

GMKXDIKYYGSTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14284997

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

-0.746

Water Solubility, LogSw

-5.20

Polar Surface Area

41.603

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

13.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

V025-9052 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 V025-9052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9052?
Check Price and Availability of V025-9052, 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 V025-9052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9052
  • 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 V025-9052 available by request