V004-5465 Screening compound: 3-(2,4-difluorophenoxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

V004-5465 Screening compound: 3-(2,4-difluorophenoxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane
V004-5465 Screening compound: 3-(2,4-difluorophenoxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5465
3-(2,4-difluorophenoxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-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

V004-5465

Molecular Formula

C27H25F2NO2S (C27 H25 F2 NO2 S)

Compound Name

3-(2,4-difluorophenoxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

IUPAC name

3-(24-difluorophenoxy)-8-{4-[(phenylsulfanyl)methyl]benzoyl}-8-azabicyclo[3.2.1]octane

SMILES

O=C(c1ccc(CSc2ccccc2)cc1)N(C(CC1)C2)C1CC2Oc(ccc(F)c1)c1F

InChI

InChI=1S/C27H25F2NO2S/c28-20-10-13-26(25(29)14-20)32-23-15-21-11-12-22(16-23)30(21)27(31)19-8-6-18(7-9-19)17-33-24-4-2-1-3-5-24/h1-10,13-14,21-23H,11-12,15-17H2

InChI Key

ADZHLRCNGWPBEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.920

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.13

Polar Surface Area

21.835

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

V004-5465 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V004-5465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5465?
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What is the minimum amount of V004-5465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5465
  • 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 V004-5465 available by request