V021-1259 Screening compound: 1-({1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

V021-1259 Screening compound: 1-({1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine
V021-1259 Screening compound: 1-({1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1259
1-({1-[(2-nitrophenyl)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

V021-1259

Molecular Formula

C24H28F3N3O2 (C24 H28 F3 N3 O2)

Compound Name

1-({1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

IUPAC name

1-({1-[(2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

SMILES

[O-][N+](c1c(CN(CC2CN3CCCCC3)CC2c2cccc(C(F)(F)F)c2)cccc1)=O

InChI

InChI=1S/C24H28F3N3O2/c25-24(26,27)21-9-6-8-18(13-21)22-17-29(14-19-7-2-3-10-23(19)30(31)32)16-20(22)15-28-11-4-1-5-12-28/h2-3,6-10,13,20,22H,1,4-5,11-12,14-17H2

InChI Key

ZJGJKBMKZICZAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19928032

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

447.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-5.70

Polar Surface Area

40.745

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V021-1259 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-1259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1259?
Check Price and Availability of V021-1259, 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 V021-1259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1259
  • 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 V021-1259 available by request