S582-0326 Screening compound: N-[(2-ISOBUTYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL)METHYL]-2-FURAMIDE

S582-0326 Screening compound: N-[(2-ISOBUTYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL)METHYL]-2-FURAMIDE
S582-0326 Screening compound: N-[(2-ISOBUTYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL)METHYL]-2-FURAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0326
N-[(2-ISOBUTYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL)METHYL]-2-FURAMIDE

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

S582-0326

Molecular Formula

C17H21N3O3 (C17 H21 N3 O3)

Compound Name

N-[(2-ISOBUTYL-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL)METHYL]-2-FURAMIDE

IUPAC name

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

SMILES

CC(C)CN(C(CNC(c1ccco1)=O)Cn1c2ccc1)C2=O

InChI

InChI=1S/C17H21N3O3/c1-12(2)10-20-13(9-18-16(21)15-6-4-8-23-15)11-19-7-3-5-14(19)17(20)22/h3-8,12-13H,9-11H2,1-2H3,(H,18,21)/t13-/m0/s1

InChI Key

CXMKVKJODKAYJR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29017668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-2.20

Polar Surface Area

51.748

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

S582-0326 in Drug Discovery

Included in Screening Libraries

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 S582-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0326?
Check Price and Availability of S582-0326, 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 S582-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0326
  • 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 S582-0326 available by request