S582-0389 Screening compound: 4-METHOXY-N~1~-{[2-(2-METHOXYETHYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]METHYL}-1-BENZENESULFONAMIDE

S582-0389 Screening compound: 4-METHOXY-N~1~-{[2-(2-METHOXYETHYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]METHYL}-1-BENZENESULFONAMIDE
S582-0389 Screening compound: 4-METHOXY-N~1~-{[2-(2-METHOXYETHYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]METHYL}-1-BENZENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0389
4-METHOXY-N~1~-{[2-(2-METHOXYETHYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]METHYL}-1-BENZENESULFONAMIDE

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

S582-0389

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

4-METHOXY-N~1~-{[2-(2-METHOXYETHYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]METHYL}-1-BENZENESULFONAMIDE

IUPAC name

n/a

SMILES

COCCN(C(CNS(c(cc1)ccc1OC)(=O)=O)Cn1c2ccc1)C2=O

InChI

InChI=1S/C18H23N3O5S/c1-25-11-10-21-14(13-20-9-3-4-17(20)18(21)22)12-19-27(23,24)16-7-5-15(26-2)6-8-16/h3-9,14,19H,10-13H2,1-2H3/t14-/m0/s1

InChI Key

XATSRGJXHZAMIZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29011226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.643

Distribution Coefficient, logD

1.643

Water Solubility, LogSw

-2.57

Polar Surface Area

76.379

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.89

S582-0389 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S582-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0389?
Check Price and Availability of S582-0389, 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 S582-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0389
  • 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 S582-0389 available by request