S531-0248 Screening compound: N-(1,1-DIOXOTETRAHYDROTHIOPHEN-3-YL)-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE

S531-0248 Screening compound: N-(1,1-DIOXOTETRAHYDROTHIOPHEN-3-YL)-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE
S531-0248 Screening compound: N-(1,1-DIOXOTETRAHYDROTHIOPHEN-3-YL)-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S531-0248
N-(1,1-DIOXOTETRAHYDROTHIOPHEN-3-YL)-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-3-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

S531-0248

Molecular Formula

C13H17N3O4S (C13 H17 N3 O4 S)

Compound Name

N-(1,1-DIOXOTETRAHYDROTHIOPHEN-3-YL)-2-METHYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CN(C(Cn1c2ccc1)C(NC(CC1)CS1(=O)=O)=O)C2=O

InChI

InChI=1S/C13H17N3O4S/c1-15-11(7-16-5-2-3-10(16)13(15)18)12(17)14-9-4-6-21(19,20)8-9/h2-3,5,9,11H,4,6-8H2,1H3,(H,14,17)

InChI Key

IDDOUVCTIKUKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.060

Distribution Coefficient, logD

-1.060

Water Solubility, LogSw

-1.99

Polar Surface Area

71.145

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

S531-0248 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S531-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S531-0248?
Check Price and Availability of S531-0248, 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 S531-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S531-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S531-0248
  • 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 S531-0248 available by request