S590-0030 Screening compound: 1-[(4-chlorophenyl)sulfonyl]-N~1~-[(2-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1-cyclopropanecarboxamide

S590-0030 Screening compound: 1-[(4-chlorophenyl)sulfonyl]-N~1~-[(2-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1-cyclopropanecarboxamide
S590-0030 Screening compound: 1-[(4-chlorophenyl)sulfonyl]-N~1~-[(2-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S590-0030
1-[(4-chlorophenyl)sulfonyl]-N~1~-[(2-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1-cyclopropanecarboxamide

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

S590-0030

Molecular Formula

C19H22ClN3O3S (C19 H22 ClN3 O3 S)

Compound Name

1-[(4-chlorophenyl)sulfonyl]-N~1~-[(2-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1-cyclopropanecarboxamide

IUPAC name

n/a

SMILES

CN(C1)C(CNC(C2(CC2)S(c(cc2)ccc2Cl)(=O)=O)=O)Cn2c1ccc2

InChI

InChI=1S/C19H22ClN3O3S/c1-22-12-15-3-2-10-23(15)13-16(22)11-21-18(24)19(8-9-19)27(25,26)17-6-4-14(20)5-7-17/h2-7,10,16H,8-9,11-13H2,1H3,(H,21,24)/t16-/m0/s1

InChI Key

JKBGHJHZILYNRG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29015160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-2.84

Polar Surface Area

60.646

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S590-0030 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S590-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S590-0030?
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What is the minimum amount of S590-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S590-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S590-0030
  • 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 S590-0030 available by request