T853-0034 Screening compound: 1-methyl-4a-(1,4-thiazinan-4-ylcarbonyl)-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone

T853-0034 Screening compound: 1-methyl-4a-(1,4-thiazinan-4-ylcarbonyl)-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone
T853-0034 Screening compound: 1-methyl-4a-(1,4-thiazinan-4-ylcarbonyl)-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T853-0034
1-methyl-4a-(1,4-thiazinan-4-ylcarbonyl)-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone

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

T853-0034

Molecular Formula

C15H22N2O2S (C15 H22 N2 O2 S)

Compound Name

1-methyl-4a-(1,4-thiazinan-4-ylcarbonyl)-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone

IUPAC name

1-methyl-4a-(thiomorpholine-4-carbonyl)-12344a567-octahydroquinolin-2-one

SMILES

CN(C(CC1)=O)C2=CCCCC12C(N1CCSCC1)=O

InChI

InChI=1S/C15H22N2O2S/c1-16-12-4-2-3-6-15(12,7-5-13(16)18)14(19)17-8-10-20-11-9-17/h4H,2-3,5-11H2,1H3/t15-/m1/s1

InChI Key

YMTJYLVJGTTYHT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28122564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.42

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

1.285

Distribution Coefficient, logD

1.285

Water Solubility, LogSw

-1.63

Polar Surface Area

32.315

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

T853-0034 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T853-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T853-0034?
Check Price and Availability of T853-0034, 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 T853-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T853-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T853-0034
  • 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 T853-0034 available by request