7790-0831 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-(phenylsulfanyl)-1-ethanone

7790-0831 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-(phenylsulfanyl)-1-ethanone
7790-0831 Screening compound: 1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-(phenylsulfanyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-0831
1-(8-cyclohexyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-(phenylsulfanyl)-1-ethanone

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

7790-0831

Molecular Formula

C28H32N2OS (C28 H32 N2 OS)

Compound Name

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

IUPAC name

1-{12-cyclohexyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraen-4-yl}-2-(phenylsulfanyl)ethan-1-one

SMILES

O=C(CSc1ccccc1)N1C(CCC2)c3c2c(cc(C2CCCCC2)cc2)c2n3CC1

InChI

InChI=1S/C28H32N2OS/c31-27(19-32-22-10-5-2-6-11-22)29-16-17-30-25-15-14-21(20-8-3-1-4-9-20)18-24(25)23-12-7-13-26(29)28(23)30/h2,5-6,10-11,14-15,18,20,26H,1,3-4,7-9,12-13,16-17,19H2/t26-/m0/s1

InChI Key

KSHJOXYBFQGFMR-SANMLTNESA-N

MDL Number (MFCD)

MFCD02069917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.473

Distribution Coefficient, logD

7.473

Water Solubility, LogSw

-6.09

Polar Surface Area

15.726

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

7790-0831 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7790-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-0831?
Check Price and Availability of 7790-0831, 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 7790-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-0831
  • 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 7790-0831 available by request