5586-2750 Screening compound: 1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(4-methylphenoxy)-2-propanol

5586-2750 Screening compound: 1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(4-methylphenoxy)-2-propanol
5586-2750 Screening compound: 1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(4-methylphenoxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2750
1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(4-methylphenoxy)-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

5586-2750

Molecular Formula

C25H30N2O2 (C25 H30 N2 O2)

Compound Name

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

SMILES

Cc(cc1)ccc1OCC(CN1C(CCC2)c3c2c(cc(C)cc2)c2n3CC1)O

InChI

InChI=1S/C25H30N2O2/c1-17-6-9-20(10-7-17)29-16-19(28)15-26-12-13-27-23-11-8-18(2)14-22(23)21-4-3-5-24(26)25(21)27/h6-11,14,19,24,28H,3-5,12-13,15-16H2,1-2H3

InChI Key

PGOYSHFRKXUBBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.779

Distribution Coefficient, logD

5.640

Water Solubility, LogSw

-5.47

Polar Surface Area

27.702

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

5586-2750 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

MCL1 Targeted Library (12200 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5586-2750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2750?
Check Price and Availability of 5586-2750, 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 5586-2750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2750
  • 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 5586-2750 available by request