5989-2452 Screening compound: 1-(isopropylamino)-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol

5989-2452 Screening compound: 1-(isopropylamino)-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol
5989-2452 Screening compound: 1-(isopropylamino)-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-2452
1-(isopropylamino)-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol

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

5989-2452

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

1-(isopropylamino)-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-propanol

IUPAC name

1-{12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraen-4-yl}-3-[(propan-2-yl)amino]propan-2-ol

SMILES

CC(C)NCC(CN1C(CCC2)c3c2c(cc(C)cc2)c2n3CC1)O

InChI

InChI=1S/C21H31N3O/c1-14(2)22-12-16(25)13-23-9-10-24-19-8-7-15(3)11-18(19)17-5-4-6-20(23)21(17)24/h7-8,11,14,16,20,22,25H,4-6,9-10,12-13H2,1-3H3

InChI Key

REQHIGZKPANFBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00293697

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-4.02

Polar Surface Area

31.277

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

5989-2452 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5989-2452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-2452?
Check Price and Availability of 5989-2452, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5989-2452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-2452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-2452
  • 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 5989-2452 available by request