SA19-0472 Screening compound: N-{[7-(cyclopropylmethyl)-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-2-yl]methyl}-1-phenylcyclopropane-1-carboxamide

SA19-0472 Screening compound: N-{[7-(cyclopropylmethyl)-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-2-yl]methyl}-1-phenylcyclopropane-1-carboxamide
SA19-0472 Screening compound: N-{[7-(cyclopropylmethyl)-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-2-yl]methyl}-1-phenylcyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA19-0472
N-{[7-(cyclopropylmethyl)-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-2-yl]methyl}-1-phenylcyclopropane-1-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

SA19-0472

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

N-{[7-(cyclopropylmethyl)-8-oxo-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-2-yl]methyl}-1-phenylcyclopropane-1-carboxamide

IUPAC name

N-{[7-(cyclopropylmethyl)-8-oxo-5H6H7H8H-imidazo[12-a]pyrazin-2-yl]methyl}-1-phenylcyclopropane-1-carboxamide

SMILES

O=C(C1(CC1)c1ccccc1)NCc1cn(CCN(CC2CC2)C2=O)c2n1

InChI

InChI=1S/C21H24N4O2/c26-19-18-23-17(14-24(18)10-11-25(19)13-15-6-7-15)12-22-20(27)21(8-9-21)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,22,27)

InChI Key

NTJIMNLRKYIKIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32235279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

2.102

Water Solubility, LogSw

-2.44

Polar Surface Area

54.240

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

SA19-0472 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SA19-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA19-0472?
Check Price and Availability of SA19-0472, 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 SA19-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA19-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA19-0472
  • 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 SA19-0472 available by request