Z601-0800 Screening compound: N~5~-(cyanomethyl)-N~5~-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

Z601-0800 Screening compound: N~5~-(cyanomethyl)-N~5~-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide
Z601-0800 Screening compound: N~5~-(cyanomethyl)-N~5~-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0800
N~5~-(cyanomethyl)-N~5~-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

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

Z601-0800

Molecular Formula

C14H13N3OS (C14 H13 N3 OS)

Compound Name

N~5~-(cyanomethyl)-N~5~-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indole-5-carboxamide

IUPAC name

N-(cyanomethyl)-N-methyl-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene-2-carboxamide

SMILES

CN(CC#N)C(c1cc2cccc3c2n1CCS3)=O

InChI

InChI=1S/C14H13N3OS/c1-16(6-5-15)14(18)11-9-10-3-2-4-12-13(10)17(11)7-8-19-12/h2-4,9H,6-8H2,1H3

InChI Key

OIVTWFSNVKFYBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.514

Distribution Coefficient, logD

1.514

Water Solubility, LogSw

-2.50

Polar Surface Area

33.948

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Z601-0800 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Z601-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0800?
Check Price and Availability of Z601-0800, 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 Z601-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0800
  • 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 Z601-0800 available by request