5989-0621 Screening compound: 8-methyl-3-(2-oxetanyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

5989-0621 Screening compound: 8-methyl-3-(2-oxetanyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
5989-0621 Screening compound: 8-methyl-3-(2-oxetanyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-0621
8-methyl-3-(2-oxetanyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

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

5989-0621

Molecular Formula

C18H22N2O (C18 H22 N2 O)

Compound Name

8-methyl-3-(2-oxetanyl)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

IUPAC name

12-methyl-4-(oxetan-2-yl)-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene

SMILES

Cc(cc1)cc2c1n(CC1)c3c2CCCC3N1C1OCC1

InChI

InChI=1S/C18H22N2O/c1-12-5-6-15-14(11-12)13-3-2-4-16-18(13)20(15)9-8-19(16)17-7-10-21-17/h5-6,11,16-17H,2-4,7-10H2,1H3

InChI Key

AHJLARQCHGRWQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00415441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-4.35

Polar Surface Area

11.605

Acid Dissociation Constant (pKa)

25.51

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

5989-0621 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5989-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-0621?
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What is the minimum amount of 5989-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-0621
  • 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 5989-0621 available by request