V008-4540 Screening compound: methyl[1-(naphthalen-1-yl)ethyl][(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine

V008-4540 Screening compound: methyl[1-(naphthalen-1-yl)ethyl][(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine
V008-4540 Screening compound: methyl[1-(naphthalen-1-yl)ethyl][(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4540
methyl[1-(naphthalen-1-yl)ethyl][(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]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

V008-4540

Molecular Formula

C35H35F3N2O2 (C35 H35 F3 N2 O2)

Compound Name

methyl[1-(naphthalen-1-yl)ethyl][(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine

IUPAC name

methyl[(1S)-1-(naphthalen-1-yl)ethyl][(4-{3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane-8-carbonyl}phenyl)methyl]amine

SMILES

CC(c1cccc2ccccc12)N(C)Cc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C35H35F3N2O2/c1-23(32-12-5-8-25-7-3-4-11-33(25)32)39(2)22-24-13-15-26(16-14-24)34(41)40-28-17-18-29(40)21-31(20-28)42-30-10-6-9-27(19-30)35(36,37)38/h3-16,19,23,28-29,31H,17-18,20-22H2,1-2H3/t23-,28?,29?,31?/m0/s1

InChI Key

FRZJRUOPFGYNCN-HJVYHSPXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-6.69

Polar Surface Area

24.656

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.30

V008-4540 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V008-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4540?
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What is the minimum amount of V008-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4540
  • 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 V008-4540 available by request