Y020-7781 Screening compound: 2'-(2-ethylbutanoyl)-6'-methyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one

Y020-7781 Screening compound: 2'-(2-ethylbutanoyl)-6'-methyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
Y020-7781 Screening compound: 2'-(2-ethylbutanoyl)-6'-methyl-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 Y020-7781
2'-(2-ethylbutanoyl)-6'-methyl-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

Y020-7781

Molecular Formula

C25H27N3O2 (C25 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(CC)C(N(CCc1c2[nH]c3c1cc(C)cc3)C2(c(cccc1)c1N1)C1=O)=O

InChI

InChI=1S/C25H27N3O2/c1-4-16(5-2)23(29)28-13-12-17-18-14-15(3)10-11-20(18)26-22(17)25(28)19-8-6-7-9-21(19)27-24(25)30/h6-11,14,16,26H,4-5,12-13H2,1-3H3,(H,27,30)/t25-/m0/s1

InChI Key

JPCIDDGBAXZVFC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07185957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-4.83

Polar Surface Area

51.021

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

Y020-7781 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-7781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7781?
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What is the minimum amount of Y020-7781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7781
  • 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 Y020-7781 available by request