S590-0119 Screening compound: 3-methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)thiophene-2-carboxamide

S590-0119 Screening compound: 3-methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)thiophene-2-carboxamide
S590-0119 Screening compound: 3-methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S590-0119
3-methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)thiophene-2-carboxamide

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

S590-0119

Molecular Formula

C15H19N3OS (C15 H19 N3 OS)

Compound Name

3-methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)thiophene-2-carboxamide

IUPAC name

3-methyl-N-({2-methyl-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl}methyl)thiophene-2-carboxamide

SMILES

Cc1c(C(NCC2N(C)Cc3cccn3C2)=O)scc1

InChI

InChI=1S/C15H19N3OS/c1-11-5-7-20-14(11)15(19)16-8-13-10-18-6-3-4-12(18)9-17(13)2/h3-7,13H,8-10H2,1-2H3,(H,16,19)/t13-/m0/s1

InChI Key

LNWORGIBULKPMM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30463011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.47

Polar Surface Area

31.640

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S590-0119 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S590-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S590-0119?
Check Price and Availability of S590-0119, 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 S590-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S590-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S590-0119
  • 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 S590-0119 available by request