G587-0553 Screening compound: N-[2-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)ETHYL]-5-METHYL-6-OXO-5H,6H,6AH,7H,8H,9H,10H-PYRIDO[1,2-A]QUINOXALINE-3-CARBOXAMIDE

G587-0553 Screening compound: N-[2-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)ETHYL]-5-METHYL-6-OXO-5H,6H,6AH,7H,8H,9H,10H-PYRIDO[1,2-A]QUINOXALINE-3-CARBOXAMIDE
G587-0553 Screening compound: N-[2-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)ETHYL]-5-METHYL-6-OXO-5H,6H,6AH,7H,8H,9H,10H-PYRIDO[1,2-A]QUINOXALINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G587-0553
N-[2-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)ETHYL]-5-METHYL-6-OXO-5H,6H,6AH,7H,8H,9H,10H-PYRIDO[1,2-A]QUINOXALINE-3-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

G587-0553

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

N-[2-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)ETHYL]-5-METHYL-6-OXO-5H,6H,6AH,7H,8H,9H,10H-PYRIDO[1,2-A]QUINOXALINE-3-CARBOXAMIDE

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-5-methyl-6-oxo-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxaline-3-carboxamide

SMILES

Cc1noc(C)c1CCNC(c(cc1)cc(N2C)c1N(CCCC1)C1C2=O)=O

InChI

InChI=1S/C21H26N4O3/c1-13-16(14(2)28-23-13)9-10-22-20(26)15-7-8-17-19(12-15)24(3)21(27)18-6-4-5-11-25(17)18/h7-8,12,18H,4-6,9-11H2,1-3H3,(H,22,26)/t18-/m0/s1

InChI Key

SSIOWPGTRXHTNL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15021442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.483

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-2.25

Polar Surface Area

64.122

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

G587-0553 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G587-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G587-0553?
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What is the minimum amount of G587-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G587-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G587-0553
  • 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 G587-0553 available by request