Y020-8637 Screening compound: 12-cyclohexyl-10-[3-(morpholin-4-yl)propyl]-1,8,10,12-tetraazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8-tetraene

Y020-8637 Screening compound: 12-cyclohexyl-10-[3-(morpholin-4-yl)propyl]-1,8,10,12-tetraazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8-tetraene
Y020-8637 Screening compound: 12-cyclohexyl-10-[3-(morpholin-4-yl)propyl]-1,8,10,12-tetraazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8-tetraene alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8637
12-cyclohexyl-10-[3-(morpholin-4-yl)propyl]-1,8,10,12-tetraazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8-tetraene

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

Y020-8637

Molecular Formula

C22H33N5O (C22 H33 N5 O)

Compound Name

12-cyclohexyl-10-[3-(morpholin-4-yl)propyl]-1,8,10,12-tetraazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8-tetraene

IUPAC name

12-cyclohexyl-10-[3-(morpholin-4-yl)propyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

C(CN1CCOCC1)CN(C1)c2nc(cccc3)c3n2CN1C1CCCCC1

InChI

InChI=1S/C22H33N5O/c1-2-7-19(8-3-1)26-17-25(12-6-11-24-13-15-28-16-14-24)22-23-20-9-4-5-10-21(20)27(22)18-26/h4-5,9-10,19H,1-3,6-8,11-18H2

InChI Key

DZWGHQZSVLHPOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09463480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-4.09

Polar Surface Area

29.171

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

Y020-8637 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-8637 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-8637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8637
  • 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 Y020-8637 available by request