D090-0014 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-methylphenoxy)-2-propanol

D090-0014 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-methylphenoxy)-2-propanol
D090-0014 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-methylphenoxy)-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound D090-0014
1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(2-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

D090-0014

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-(2-methylphenoxy)-2-propanol

IUPAC name

1-{12-cyclohexyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)101214-tetraen-4-yl}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN1C(CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1)O

InChI

InChI=1S/C30H38N2O2/c1-21-8-5-6-13-29(21)34-20-24(33)19-31-16-17-32-27-15-14-23(22-9-3-2-4-10-22)18-26(27)25-11-7-12-28(31)30(25)32/h5-6,8,13-15,18,22,24,28,33H,2-4,7,9-12,16-17,19-20H2,1H3

InChI Key

ISIWOFICMJUWIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00316616

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

7.757

Distribution Coefficient, logD

7.618

Water Solubility, LogSw

-5.78

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

53.30

D090-0014 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D090-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D090-0014?
Check Price and Availability of D090-0014, 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 D090-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D090-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D090-0014
  • 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 D090-0014 available by request