Y020-2858 Screening compound: 6'-methoxy-1-methyl-2'-(3-methylbutanoyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

Y020-2858 Screening compound: 6'-methoxy-1-methyl-2'-(3-methylbutanoyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
Y020-2858 Screening compound: 6'-methoxy-1-methyl-2'-(3-methylbutanoyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2858
6'-methoxy-1-methyl-2'-(3-methylbutanoyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

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

Y020-2858

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

6'-methoxy-1-methyl-2'-(3-methylbutanoyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

IUPAC name

6'-methoxy-1-methyl-2'-(3-methylbutanoyl)-122'3'4'9'-hexahydrospiro[indole-31'-pyrido[34-b]indol]-2-one

SMILES

CC(C)CC(N(CCc1c2[nH]c(cc3)c1cc3OC)C2(c(cccc1)c1N1C)C1=O)=O

InChI

InChI=1S/C25H27N3O3/c1-15(2)13-22(29)28-12-11-17-18-14-16(31-4)9-10-20(18)26-23(17)25(28)19-7-5-6-8-21(19)27(3)24(25)30/h5-10,14-15,26H,11-13H2,1-4H3/t25-/m0/s1

InChI Key

LURAMNMOTAOZHS-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09463397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.27

Polar Surface Area

48.299

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

Y020-2858 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with Y020-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2858?
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What is the minimum amount of Y020-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2858
  • 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 Y020-2858 available by request