Y020-2221 Screening compound: 2'-acetyl-5-bromo-1-(3-methylbutyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

Y020-2221 Screening compound: 2'-acetyl-5-bromo-1-(3-methylbutyl)-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
Y020-2221 Screening compound: 2'-acetyl-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 Y020-2221
2'-acetyl-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

Y020-2221

Molecular Formula

C25H26BrN3O2 (C25 H26 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(C(C1(c2c(CC3)c(cccc4)c4[nH]2)N3C(C)=O)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C25H26BrN3O2/c1-15(2)10-12-28-22-9-8-17(26)14-20(22)25(24(28)31)23-19(11-13-29(25)16(3)30)18-6-4-5-7-21(18)27-23/h4-9,14-15,27H,10-13H2,1-3H3/t25-/m0/s1

InChI Key

BPYWOABFYOEPBG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08284286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.19

Polar Surface Area

41.964

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

Y020-2221 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y020-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2221
  • 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 Y020-2221 available by request