3807-3017 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(4-methylphenoxy)-2-propanol

3807-3017 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(4-methylphenoxy)-2-propanol
3807-3017 Screening compound: 1-(8-cyclohexyl-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 3807-3017
1-(8-cyclohexyl-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

3807-3017

Molecular Formula

C30H38N2O2 (C30 H38 N2 O2)

Compound Name

1-(8-cyclohexyl-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-cyclohexyl-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(C2CCCCC2)cc2)c2n3CC1)O

InChI

InChI=1S/C30H38N2O2/c1-21-10-13-25(14-11-21)34-20-24(33)19-31-16-17-32-28-15-12-23(22-6-3-2-4-7-22)18-27(28)26-8-5-9-29(31)30(26)32/h10-15,18,22,24,29,33H,2-9,16-17,19-20H2,1H3

InChI Key

DBPRTXMMIJEAHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.581

Distribution Coefficient, logD

7.442

Water Solubility, LogSw

-5.66

Polar Surface Area

27.622

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

3807-3017 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3807-3017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-3017?
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What is the minimum amount of 3807-3017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-3017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-3017
  • 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 3807-3017 available by request