Y020-6491 Screening compound: methyl 2-[2-(4-acetylphenyl)-1,3,4-trioxo-9-phenyldecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate

Y020-6491 Screening compound: methyl 2-[2-(4-acetylphenyl)-1,3,4-trioxo-9-phenyldecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate
Y020-6491 Screening compound: methyl 2-[2-(4-acetylphenyl)-1,3,4-trioxo-9-phenyldecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6491
methyl 2-[2-(4-acetylphenyl)-1,3,4-trioxo-9-phenyldecahydro-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

Y020-6491

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

methyl 2-[2-(4-acetylphenyl)-1,3,4-trioxo-9-phenyldecahydro-3bH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]pyrazin-3-yl]acetate

IUPAC name

methyl 2-[4-(4-acetylphenyl)-3512-trioxo-7-phenyl-4811-triazatricyclo[6.4.0.0^{26}]dodecan-1-yl]acetate

SMILES

CC(c(cc1)ccc1N(C(C(C12)C(c3ccccc3)N(CCN3)C2(CC(OC)=O)C3=O)=O)C1=O)=O

InChI

InChI=1S/C26H25N3O6/c1-15(30)16-8-10-18(11-9-16)29-23(32)20-21(24(29)33)26(14-19(31)35-2)25(34)27-12-13-28(26)22(20)17-6-4-3-5-7-17/h3-11,20-22H,12-14H2,1-2H3,(H,27,34)

InChI Key

FWEUDIBXLLHASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28033907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.668

Distribution Coefficient, logD

0.668

Water Solubility, LogSw

-1.74

Polar Surface Area

91.704

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

34.60

Y020-6491 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 Y020-6491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6491?
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What is the minimum amount of Y020-6491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6491
  • 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 Y020-6491 available by request