6518-0605 Screening compound: 1-adamantyl(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methanone

6518-0605 Screening compound: 1-adamantyl(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methanone
6518-0605 Screening compound: 1-adamantyl(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6518-0605
1-adamantyl(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)methanone

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

6518-0605

Molecular Formula

C26H32N2O (C26 H32 N2 O)

Compound Name

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

IUPAC name

4-(adamantane-1-carbonyl)-12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)101214-tetraene

SMILES

Cc(cc1)cc2c1n(CC1)c3c2CCCC3N1C(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C26H32N2O/c1-16-5-6-22-21(9-16)20-3-2-4-23-24(20)27(22)7-8-28(23)25(29)26-13-17-10-18(14-26)12-19(11-17)15-26/h5-6,9,17-19,23H,2-4,7-8,10-15H2,1H3/t17?,18?,19?,23-,26?/m0/s1

InChI Key

ILYSXAFKWBDVRW-MHLWUJJFSA-N

MDL Number (MFCD)

MFCD04213018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.029

Distribution Coefficient, logD

7.029

Water Solubility, LogSw

-5.73

Polar Surface Area

16.366

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.40

6518-0605 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6518-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6518-0605?
Check Price and Availability of 6518-0605, 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 6518-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6518-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6518-0605
  • 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 6518-0605 available by request