M050-3198 Screening compound: 4-amino-N-isopropyl-5-(1,4-thiazinan-4-ylcarbonyl)-3-isothiazolecarboxamide

M050-3198 Screening compound: 4-amino-N-isopropyl-5-(1,4-thiazinan-4-ylcarbonyl)-3-isothiazolecarboxamide
M050-3198 Screening compound: 4-amino-N-isopropyl-5-(1,4-thiazinan-4-ylcarbonyl)-3-isothiazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M050-3198
4-amino-N-isopropyl-5-(1,4-thiazinan-4-ylcarbonyl)-3-isothiazolecarboxamide

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

M050-3198

Molecular Formula

C12H18N4O2S2 (C12 H18 N4 O2 S2)

Compound Name

4-amino-N-isopropyl-5-(1,4-thiazinan-4-ylcarbonyl)-3-isothiazolecarboxamide

IUPAC name

4-amino-N-(propan-2-yl)-5-(thiomorpholine-4-carbonyl)-12-thiazole-3-carboxamide

SMILES

CC(C)NC(c1nsc(C(N2CCSCC2)=O)c1N)=O

InChI

InChI=1S/C12H18N4O2S2/c1-7(2)14-11(17)9-8(13)10(20-15-9)12(18)16-3-5-19-6-4-16/h7H,3-6,13H2,1-2H3,(H,14,17)

InChI Key

BNVQRNUSOXPMAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22598153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.576

Distribution Coefficient, logD

0.576

Water Solubility, LogSw

-1.65

Polar Surface Area

71.194

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.33

M050-3198 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 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 M050-3198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M050-3198?
Check Price and Availability of M050-3198, 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 M050-3198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M050-3198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M050-3198
  • 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 M050-3198 available by request