V025-8053 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

V025-8053 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane
V025-8053 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8053
3-(2,4-difluorophenoxy)-8-(4-{[(3,5-dimethylphenyl)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

V025-8053

Molecular Formula

C29H29F2NO2S (C29 H29 F2 NO2 S)

Compound Name

3-(2,4-difluorophenoxy)-8-(4-{[(3,5-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

IUPAC name

3-(24-difluorophenoxy)-8-(4-{[(35-dimethylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

SMILES

Cc1cc(SCc(cc2)ccc2C(N(C(CC2)C3)C2CC3Oc(ccc(F)c2)c2F)=O)cc(C)c1

InChI

InChI=1S/C29H29F2NO2S/c1-18-11-19(2)13-26(12-18)35-17-20-3-5-21(6-4-20)29(33)32-23-8-9-24(32)16-25(15-23)34-28-10-7-22(30)14-27(28)31/h3-7,10-14,23-25H,8-9,15-17H2,1-2H3

InChI Key

YEOAZOTUEDVAHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.62

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

4.792

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-4.71

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

34.50

References: we are preparing a list of scientific research reports with V025-8053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8053?
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What is the minimum amount of V025-8053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8053
  • 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 V025-8053 available by request