V001-6350 Screening compound: 8-(4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

V001-6350 Screening compound: 8-(4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
V001-6350 Screening compound: 8-(4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6350
8-(4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

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

V001-6350

Molecular Formula

C34H37F3N2O3 (C34 H37 F3 N2 O3)

Compound Name

8-(4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

IUPAC name

8-(4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}benzoyl)-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

SMILES

COc1c(C2CCN(Cc(cc3)ccc3C(N(C(CC3)C4)C3CC4Oc3cccc(C(F)(F)F)c3)=O)CC2)cccc1

InChI

InChI=1S/C34H37F3N2O3/c1-41-32-8-3-2-7-31(32)24-15-17-38(18-16-24)22-23-9-11-25(12-10-23)33(40)39-27-13-14-28(39)21-30(20-27)42-29-6-4-5-26(19-29)34(35,36)37/h2-12,19,24,27-28,30H,13-18,20-22H2,1H3

InChI Key

RIFNJUVAGRVGQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949704

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

4.079

Water Solubility, LogSw

-5.08

Polar Surface Area

33.112

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.10

V001-6350 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V001-6350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6350?
Check Price and Availability of V001-6350, 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 V001-6350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6350
  • 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 V001-6350 available by request