V008-4528 Screening compound: 8-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane

V008-4528 Screening compound: 8-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
V008-4528 Screening compound: 8-{4-[(4-benzylpiperidin-1-yl)methyl]benzoyl}-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4528
8-{4-[(4-benzylpiperidin-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

V008-4528

Molecular Formula

C34H37F3N2O2 (C34 H37 F3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N(C(CC1)C2)C1CC2Oc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C34H37F3N2O2/c35-34(36,37)28-7-4-8-31(20-28)41-32-21-29-13-14-30(22-32)39(29)33(40)27-11-9-26(10-12-27)23-38-17-15-25(16-18-38)19-24-5-2-1-3-6-24/h1-12,20,25,29-30,32H,13-19,21-23H2

InChI Key

CERDEQALBREMBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949703

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.68

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

5.582

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-6.19

Polar Surface Area

25.481

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.10

V008-4528 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V008-4528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4528?
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What is the minimum amount of V008-4528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4528
  • 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 V008-4528 available by request