Z606-3570 Screening compound: 3-[(butan-2-yl)amino]-4H-thiochromen-4-one

Z606-3570 Screening compound: 3-[(butan-2-yl)amino]-4H-thiochromen-4-one
Z606-3570 Screening compound: 3-[(butan-2-yl)amino]-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Z606-3570
3-[(butan-2-yl)amino]-4H-thiochromen-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

Z606-3570

Molecular Formula

C13H15NOS (C13 H15 NOS)

Compound Name

3-[(butan-2-yl)amino]-4H-thiochromen-4-one

IUPAC name

3-[(butan-2-yl)amino]-4H-thiochromen-4-one

SMILES

CCC(C)NC1=CSc(cccc2)c2C1=O

InChI

InChI=1S/C13H15NOS/c1-3-9(2)14-11-8-16-12-7-5-4-6-10(12)13(11)15/h4-9,14H,3H2,1-2H3/t9-/m0/s1

InChI Key

QCIFEXBDQNMRFI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD27640578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.088

Water Solubility, LogSw

-3.83

Polar Surface Area

24.216

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

Z606-3570 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Z606-3570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z606-3570?
Check Price and Availability of Z606-3570, 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 Z606-3570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z606-3570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z606-3570
  • 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 Z606-3570 available by request