2157-0021 Screening compound: 4-butyryl-1lambda~4~,4-thiazinan-1-one

2157-0021 Screening compound: 4-butyryl-1lambda~4~,4-thiazinan-1-one
2157-0021 Screening compound: 4-butyryl-1lambda~4~,4-thiazinan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2157-0021
4-butyryl-1lambda~4~,4-thiazinan-1-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

2157-0021

Molecular Formula

C8H15NO2S (C8 H15 NO2 S)

Compound Name

4-butyryl-1lambda~4~,4-thiazinan-1-one

IUPAC name

4-butanoyl-1lambda4-thiomorpholin-1-one

SMILES

CCCC(N(CC1)CCS1=O)=O

InChI

InChI=1S/C8H15NO2S/c1-2-3-8(10)9-4-6-12(11)7-5-9/h2-7H2,1H3

InChI Key

ZCIBAAUDSICGKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00544090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

189.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

-0.024

Distribution Coefficient, logD

-0.024

Water Solubility, LogSw

-1.04

Polar Surface Area

31.560

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

87.50

2157-0021 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 2157-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2157-0021?
Check Price and Availability of 2157-0021, 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 2157-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2157-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2157-0021
  • 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 2157-0021 available by request