Y020-6492 Screening compound: ethyl 2-[2,9-bis(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate

Y020-6492 Screening compound: ethyl 2-[2,9-bis(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate
Y020-6492 Screening compound: ethyl 2-[2,9-bis(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6492
ethyl 2-[2,9-bis(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate

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

Y020-6492

Molecular Formula

C27H29N3O5 (C27 H29 N3 O5)

Compound Name

ethyl 2-[2,9-bis(4-methylphenyl)-1,3,4-trioxodecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate

IUPAC name

ethyl 2-[47-bis(4-methylphenyl)-3512-trioxo-4811-triazatricyclo[6.4.0.0^{26}]dodecan-1-yl]acetate

SMILES

CCOC(CC(C(C1C(N2c3ccc(C)cc3)=O)C2=O)(C(NCC2)=O)N2C1c1ccc(C)cc1)=O

InChI

InChI=1S/C27H29N3O5/c1-4-35-20(31)15-27-22-21(24(32)30(25(22)33)19-11-7-17(3)8-12-19)23(18-9-5-16(2)6-10-18)29(27)14-13-28-26(27)34/h5-12,21-23H,4,13-15H2,1-3H3,(H,28,34)

InChI Key

XMLXGBKNGMFWHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28033909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.421

Water Solubility, LogSw

-2.84

Polar Surface Area

77.457

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.70

Y020-6492 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-6492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6492?
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What is the minimum amount of Y020-6492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6492
  • 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 Y020-6492 available by request