S582-0743 Screening compound: 1-(4-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopropane-1-carboxamide

S582-0743 Screening compound: 1-(4-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopropane-1-carboxamide
S582-0743 Screening compound: 1-(4-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S582-0743
1-(4-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopropane-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

S582-0743

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

1-(4-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-3-yl}methyl)cyclopropane-1-carboxamide

IUPAC name

1-(4-methoxyphenyl)-N-({1-oxo-2-[(pyridin-3-yl)methyl]-1H2H3H4H-pyrrolo[12-a]pyrazin-3-yl}methyl)cyclopropane-1-carboxamide

SMILES

COc1ccc(C2(CC2)C(NCC(Cn2c3ccc2)N(Cc2cnccc2)C3=O)=O)cc1

InChI

InChI=1S/C25H26N4O3/c1-32-21-8-6-19(7-9-21)25(10-11-25)24(31)27-15-20-17-28-13-3-5-22(28)23(30)29(20)16-18-4-2-12-26-14-18/h2-9,12-14,20H,10-11,15-17H2,1H3,(H,27,31)/t20-/m0/s1

InChI Key

ZAXVQRDGQDHCID-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31982179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-1.89

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

S582-0743 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S582-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S582-0743?
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What is the minimum amount of S582-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S582-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S582-0743
  • 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 S582-0743 available by request