V006-6695 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

V006-6695 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide
V006-6695 Screening compound: N-{bicyclo[2.2.1]heptan-2-yl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6695
N-{bicyclo[2.2.1]heptan-2-yl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

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

V006-6695

Molecular Formula

C28H29F3N4O (C28 H29 F3 N4 O)

Compound Name

N-{bicyclo[2.2.1]heptan-2-yl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

IUPAC name

N-[(1R4S)-bicyclo[2.2.1]heptan-2-yl]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

SMILES

O=C(c1cc(N(CC2)CCN2c2cccc(C(F)(F)F)c2)nc2ccccc12)NC1[C@@H](CC2)C[C@@H]2C1

InChI

InChI=1S/C28H29F3N4O/c29-28(30,31)20-4-3-5-21(16-20)34-10-12-35(13-11-34)26-17-23(22-6-1-2-7-24(22)32-26)27(36)33-25-15-18-8-9-19(25)14-18/h1-7,16-19,25H,8-15H2,(H,33,36)/t18-,19+,25?/m1/s1

InChI Key

QXUWVVDRSPOVGJ-VSVPBVKKSA-N

MDL Number (MFCD)

MFCD19953122

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

494.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.051

Distribution Coefficient, logD

7.051

Water Solubility, LogSw

-6.54

Polar Surface Area

39.927

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.90

V006-6695 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V006-6695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6695?
Check Price and Availability of V006-6695, 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 V006-6695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6695
  • 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 V006-6695 available by request