V004-5467 Screening compound: 3-(2-chloro-5-methylphenoxy)-8-(4-{[(4-methoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

V004-5467 Screening compound: 3-(2-chloro-5-methylphenoxy)-8-(4-{[(4-methoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane
V004-5467 Screening compound: 3-(2-chloro-5-methylphenoxy)-8-(4-{[(4-methoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5467
3-(2-chloro-5-methylphenoxy)-8-(4-{[(4-methoxyphenyl)sulfanyl]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

V004-5467

Molecular Formula

C29H30ClNO3S (C29 H30 ClNO3 S)

Compound Name

3-(2-chloro-5-methylphenoxy)-8-(4-{[(4-methoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

IUPAC name

3-(2-chloro-5-methylphenoxy)-8-(4-{[(4-methoxyphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

SMILES

Cc(cc1)cc(OC(CC2CC3)CC3N2C(c2ccc(CSc(cc3)ccc3OC)cc2)=O)c1Cl

InChI

InChI=1S/C29H30ClNO3S/c1-19-3-14-27(30)28(15-19)34-25-16-22-8-9-23(17-25)31(22)29(32)21-6-4-20(5-7-21)18-35-26-12-10-24(33-2)11-13-26/h3-7,10-15,22-23,25H,8-9,16-18H2,1-2H3

InChI Key

PWOVTXCPCKMEHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.08

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-5.26

Polar Surface Area

29.379

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

V004-5467 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 V004-5467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5467?
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What is the minimum amount of V004-5467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5467
  • 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 V004-5467 available by request