V008-4536 Screening compound: 8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane

V008-4536 Screening compound: 8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane
V008-4536 Screening compound: 8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4536
8-(4-{[(5-nitropyridin-2-yl)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

V008-4536

Molecular Formula

C29H31N3O4S (C29 H31 N3 O4 S)

Compound Name

8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-3-[2-(propan-2-yl)phenoxy]-8-azabicyclo[3.2.1]octane

IUPAC name

8-(4-{[(5-nitropyridin-2-yl)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(cc2)ncc2[N+]([O-])=O)cc1)=O

InChI

InChI=1S/C29H31N3O4S/c1-19(2)26-5-3-4-6-27(26)36-25-15-22-11-12-23(16-25)31(22)29(33)21-9-7-20(8-10-21)18-37-28-14-13-24(17-30-28)32(34)35/h3-10,13-14,17,19,22-23,25H,11-12,15-16,18H2,1-2H3

InChI Key

UOTQMQMPHISPSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945468

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.24

Polar Surface Area

63.715

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

V008-4536 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 V008-4536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4536?
Check Price and Availability of V008-4536, 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 V008-4536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4536
  • 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 V008-4536 available by request