M605-1047 Screening compound: 2-{1-butyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-3-yl}-N-methyl-N-propylacetamide

M605-1047 Screening compound: 2-{1-butyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-3-yl}-N-methyl-N-propylacetamide
M605-1047 Screening compound: 2-{1-butyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-3-yl}-N-methyl-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M605-1047
2-{1-butyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-3-yl}-N-methyl-N-propylacetamide

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

M605-1047

Molecular Formula

C17H25N3O2S (C17 H25 N3 O2 S)

Compound Name

2-{1-butyl-2-oxo-1H,2H,3H-pyrido[2,3-b][1,4]thiazin-3-yl}-N-methyl-N-propylacetamide

IUPAC name

2-{1-butyl-2-oxo-1H2H3H-pyrido[23-b][14]thiazin-3-yl}-N-methyl-N-propylacetamide

SMILES

CCCCN1c2cccnc2SC(CC(N(C)CCC)=O)C1=O

InChI

InChI=1S/C17H25N3O2S/c1-4-6-11-20-13-8-7-9-18-16(13)23-14(17(20)22)12-15(21)19(3)10-5-2/h7-9,14H,4-6,10-12H2,1-3H3/t14-/m0/s1

InChI Key

OXEQXSPJVCECEP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27548923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-2.59

Polar Surface Area

42.517

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

M605-1047 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M605-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M605-1047?
Check Price and Availability of M605-1047, 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 M605-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M605-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M605-1047
  • 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 M605-1047 available by request