V021-1249 Screening compound: 1-({1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

V021-1249 Screening compound: 1-({1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine
V021-1249 Screening compound: 1-({1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1249
1-({1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

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

V021-1249

Molecular Formula

C25H31F3N2O (C25 H31 F3 N2 O)

Compound Name

1-({1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

IUPAC name

1-({1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

SMILES

COc1ccc(CN(CC2CN3CCCCC3)CC2c2cccc(C(F)(F)F)c2)cc1

InChI

InChI=1S/C25H31F3N2O/c1-31-23-10-8-19(9-11-23)15-30-17-21(16-29-12-3-2-4-13-29)24(18-30)20-6-5-7-22(14-20)25(26,27)28/h5-11,14,21,24H,2-4,12-13,15-18H2,1H3

InChI Key

YYCBLFJRKNEGLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19928031

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-5.26

Polar Surface Area

15.209

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

V021-1249 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1249?
Check Price and Availability of V021-1249, 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 V021-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1249
  • 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 V021-1249 available by request