Y020-2218 Screening compound: 5-bromo-1-(3-methylbutyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

Y020-2218 Screening compound: 5-bromo-1-(3-methylbutyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
Y020-2218 Screening compound: 5-bromo-1-(3-methylbutyl)-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 Y020-2218
5-bromo-1-(3-methylbutyl)-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

Y020-2218

Molecular Formula

C23H24BrN3O (C23 H24 BrN3 O)

Compound Name

5-bromo-1-(3-methylbutyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

IUPAC name

5-bromo-1-(3-methylbutyl)-122'3'4'9'-hexahydrospiro[indole-31'-pyrido[34-b]indol]-2-one

SMILES

CC(C)CCN(C(C12NCCc3c1[nH]c1c3cccc1)=O)c(cc1)c2cc1Br

InChI

InChI=1S/C23H24BrN3O/c1-14(2)10-12-27-20-8-7-15(24)13-18(20)23(22(27)28)21-17(9-11-25-23)16-5-3-4-6-19(16)26-21/h3-8,13-14,25-26H,9-12H2,1-2H3/t23-/m0/s1

InChI Key

YXAHXKHOVJKSRZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD08284374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-5.07

Polar Surface Area

38.490

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

Y020-2218 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
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 Y020-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2218?
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What is the minimum amount of Y020-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2218
  • 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 Y020-2218 available by request