Z606-3287 Screening compound: 5-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

Z606-3287 Screening compound: 5-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Z606-3287 Screening compound: 5-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Z606-3287
5-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

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

Z606-3287

Molecular Formula

C13H17NOS (C13 H17 NOS)

Compound Name

5-butyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

IUPAC name

5-butyl-2345-tetrahydro-15-benzothiazepin-4-one

SMILES

CCCCN(c(cccc1)c1SCC1)C1=O

InChI

InChI=1S/C13H17NOS/c1-2-3-9-14-11-6-4-5-7-12(11)16-10-8-13(14)15/h4-7H,2-3,8-10H2,1H3

InChI Key

UXMZQZFQRAYMDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27640568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.370

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.63

Polar Surface Area

16.200

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Z606-3287 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with Z606-3287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z606-3287?
Check Price and Availability of Z606-3287, 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 Z606-3287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z606-3287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z606-3287
  • 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 Z606-3287 available by request