V029-6297 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(4-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

V029-6297 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(4-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane
V029-6297 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(4-methylphenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6297
3-(2,4-difluorophenoxy)-8-(4-{[(4-methylphenyl)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

V029-6297

Molecular Formula

C28H27F2NO2S (C28 H27 F2 NO2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1SCc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C28H27F2NO2S/c1-18-2-11-25(12-3-18)34-17-19-4-6-20(7-5-19)28(32)31-22-9-10-23(31)16-24(15-22)33-27-13-8-21(29)14-26(27)30/h2-8,11-14,22-24H,9-10,15-17H2,1H3

InChI Key

BDACTCWKXHAETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.59

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

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.34

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

32.10

References: we are preparing a list of scientific research reports with V029-6297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6297?
Check Price and Availability of V029-6297, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-6297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6297
  • 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 V029-6297 available by request