Y021-1084 Screening compound: 3,4,6,8,8-pentamethyl-7,8-dihydroindolizino[2,1,8-def]phthalazin-10(6H)-one

Y021-1084 Screening compound: 3,4,6,8,8-pentamethyl-7,8-dihydroindolizino[2,1,8-def]phthalazin-10(6H)-one
Y021-1084 Screening compound: 3,4,6,8,8-pentamethyl-7,8-dihydroindolizino[2,1,8-def]phthalazin-10(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1084
3,4,6,8,8-pentamethyl-7,8-dihydroindolizino[2,1,8-def]phthalazin-10(6H)-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

Y021-1084

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

3,4,6,8,8-pentamethyl-7,8-dihydroindolizino[2,1,8-def]phthalazin-10(6H)-one

IUPAC name

22479-pentamethyl-11011-triazatetracyclo[10.2.1.0^{514}.0^{813}]pentadeca-5(14)68(13)911-pentaen-15-one

SMILES

CC(CC(C)(C)N1c2c34)c2cc(C)c3c(C)nnc4C1=O

InChI

InChI=1S/C17H19N3O/c1-8-6-11-9(2)7-17(4,5)20-15(11)13-12(8)10(3)18-19-14(13)16(20)21/h6,9H,7H2,1-5H3/t9-/m1/s1

InChI Key

MPOIDYZPARGQCB-SECBINFHSA-N

MDL Number (MFCD)

MFCD31944582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-2.74

Polar Surface Area

39.602

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

Y021-1084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y021-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1084?
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What is the minimum amount of Y021-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1084
  • 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 Y021-1084 available by request