Y020-2227 Screening compound: 5-bromo-N-ethyl-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide

Y020-2227 Screening compound: 5-bromo-N-ethyl-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide
Y020-2227 Screening compound: 5-bromo-N-ethyl-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2227
5-bromo-N-ethyl-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-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

Y020-2227

Molecular Formula

C22H21BrN4O2 (C22 H21 BrN4 O2)

Compound Name

5-bromo-N-ethyl-1-methyl-2-oxo-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2'-carboxamide

IUPAC name

5-bromo-N-ethyl-1-methyl-2-oxo-122'3'4'9'-hexahydrospiro[indole-31'-pyrido[34-b]indole]-2'-carboxamide

SMILES

CCNC(N(CCc1c2[nH]c3c1cccc3)C2(c(cc(cc1)Br)c1N1C)C1=O)=O

InChI

InChI=1S/C22H21BrN4O2/c1-3-24-21(29)27-11-10-15-14-6-4-5-7-17(14)25-19(15)22(27)16-12-13(23)8-9-18(16)26(2)20(22)28/h4-9,12,25H,3,10-11H2,1-2H3,(H,24,29)/t22-/m0/s1

InChI Key

KJEBXQUXCBUTIG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08283408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.10

Polar Surface Area

51.052

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

Y020-2227 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 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
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • 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 Y020-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2227?
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What is the minimum amount of Y020-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2227
  • 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 Y020-2227 available by request