V006-8469 Screening compound: ethyl 4-{[8-(4-{[(2-chlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

V006-8469 Screening compound: ethyl 4-{[8-(4-{[(2-chlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate
V006-8469 Screening compound: ethyl 4-{[8-(4-{[(2-chlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8469
ethyl 4-{[8-(4-{[(2-chlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

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

V006-8469

Molecular Formula

C30H30ClNO4S (C30 H30 ClNO4 S)

Compound Name

ethyl 4-{[8-(4-{[(2-chlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

IUPAC name

ethyl 4-{[8-(4-{[(2-chlorophenyl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}benzoate

SMILES

CCOC(c(cc1)ccc1OC(CC1CC2)CC2N1C(c1ccc(CSc(cccc2)c2Cl)cc1)=O)=O

InChI

InChI=1S/C30H30ClNO4S/c1-2-35-30(34)22-11-15-25(16-12-22)36-26-17-23-13-14-24(18-26)32(23)29(33)21-9-7-20(8-10-21)19-37-28-6-4-3-5-27(28)31/h3-12,15-16,23-24,26H,2,13-14,17-19H2,1H3

InChI Key

GQUPKTKAASWJND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.09

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.81

Polar Surface Area

42.502

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V006-8469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8469?
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What is the minimum amount of V006-8469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8469
  • 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 V006-8469 available by request