3472-2248 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-isopropyl-5-methylphenoxy)-2-propanol

3472-2248 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-isopropyl-5-methylphenoxy)-2-propanol
3472-2248 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-isopropyl-5-methylphenoxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3472-2248
1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-isopropyl-5-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

3472-2248

Molecular Formula

C33H44N2O2 (C33 H44 N2 O2)

Compound Name

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

IUPAC name

1-{12-cyclohexyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraen-4-yl}-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

SMILES

CC(C)c(ccc(C)c1)c1OCC(CN1C(CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1)O

InChI

InChI=1S/C33H44N2O2/c1-22(2)27-14-12-23(3)18-32(27)37-21-26(36)20-34-16-17-35-30-15-13-25(24-8-5-4-6-9-24)19-29(30)28-10-7-11-31(34)33(28)35/h12-15,18-19,22,24,26,31,36H,4-11,16-17,20-21H2,1-3H3

InChI Key

LAUDBEONDHREQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01907267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

9.064

Distribution Coefficient, logD

8.925

Water Solubility, LogSw

-5.66

Polar Surface Area

27.709

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.60

3472-2248 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3472-2248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3472-2248?
Check Price and Availability of 3472-2248, 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 3472-2248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3472-2248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3472-2248
  • 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 3472-2248 available by request