SA18-0111 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

SA18-0111 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
SA18-0111 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA18-0111
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-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

SA18-0111

Molecular Formula

C18H22N4O4 (C18 H22 N4 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-7-methyl-8-oxo-5H6H7H8H-imidazo[12-a]pyrazine-2-carboxamide

SMILES

CN(CCn1c2nc(C(NCCc(cc3)cc(OC)c3OC)=O)c1)C2=O

InChI

InChI=1S/C18H22N4O4/c1-21-8-9-22-11-13(20-16(22)18(21)24)17(23)19-7-6-12-4-5-14(25-2)15(10-12)26-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,23)

InChI Key

MMRSFPQTIPANOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32235399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.103

Distribution Coefficient, logD

0.103

Water Solubility, LogSw

-1.87

Polar Surface Area

68.059

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

SA18-0111 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA18-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA18-0111?
Check Price and Availability of SA18-0111, 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 SA18-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA18-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA18-0111
  • 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 SA18-0111 available by request