Y041-5659 Screening compound: 2-(1,4-thiazinan-4-ylmethyl)-5,6,7,8-tetrahydro-3(2H)-cinnolinone

Y041-5659 Screening compound: 2-(1,4-thiazinan-4-ylmethyl)-5,6,7,8-tetrahydro-3(2H)-cinnolinone
Y041-5659 Screening compound: 2-(1,4-thiazinan-4-ylmethyl)-5,6,7,8-tetrahydro-3(2H)-cinnolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5659
2-(1,4-thiazinan-4-ylmethyl)-5,6,7,8-tetrahydro-3(2H)-cinnolinone

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

Y041-5659

Molecular Formula

C13H19N3OS (C13 H19 N3 OS)

Compound Name

2-(1,4-thiazinan-4-ylmethyl)-5,6,7,8-tetrahydro-3(2H)-cinnolinone

IUPAC name

2-[(thiomorpholin-4-yl)methyl]-235678-hexahydrocinnolin-3-one

SMILES

O=C1N(CN2CCSCC2)N=C(CCCC2)C2=C1

InChI

InChI=1S/C13H19N3OS/c17-13-9-11-3-1-2-4-12(11)14-16(13)10-15-5-7-18-8-6-15/h9H,1-8,10H2

InChI Key

IWNJHZAXRVGNJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22204190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.483

Distribution Coefficient, logD

1.240

Water Solubility, LogSw

-1.86

Polar Surface Area

33.659

Acid Dissociation Constant (pKa)

27.39

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

References: we are preparing a list of scientific research reports with Y041-5659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5659?
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What is the minimum amount of Y041-5659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5659
  • 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 Y041-5659 available by request