V008-4478 Screening compound: 8-(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane

V008-4478 Screening compound: 8-(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane
V008-4478 Screening compound: 8-(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4478
8-(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)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

V008-4478

Molecular Formula

C30H31Cl2NO2S (C30 H31 Cl2 NO2 S)

Compound Name

8-(4-{[(2,4-dichlorophenyl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane

IUPAC name

8-(4-{[(24-dichlorophenyl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane

SMILES

CC(C)c(cccc1)c1OC(CC1CC2)CC2N1C(c1ccc(CSc(ccc(Cl)c2)c2Cl)cc1)=O

InChI

InChI=1S/C30H31Cl2NO2S/c1-19(2)26-5-3-4-6-28(26)35-25-16-23-12-13-24(17-25)33(23)30(34)21-9-7-20(8-10-21)18-36-29-14-11-22(31)15-27(29)32/h3-11,14-15,19,23-25H,12-13,16-18H2,1-2H3

InChI Key

QMIYDKLWBGGHLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.127

Distribution Coefficient, logD

6.127

Water Solubility, LogSw

-6.07

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

36.70

References: we are preparing a list of scientific research reports with V008-4478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4478?
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What is the minimum amount of V008-4478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4478
  • 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 V008-4478 available by request