5205-0053 Screening compound: 8-methoxy-N~3~-phenyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide

5205-0053 Screening compound: 8-methoxy-N~3~-phenyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide
5205-0053 Screening compound: 8-methoxy-N~3~-phenyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5205-0053
8-methoxy-N~3~-phenyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide

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

5205-0053

Molecular Formula

C22H23N3OS (C22 H23 N3 OS)

Compound Name

8-methoxy-N~3~-phenyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide

IUPAC name

12-methoxy-N-phenyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)10(15)1113-tetraene-4-carbothioamide

SMILES

COc(cc1)cc2c1n(CC1)c3c2CCCC3N1C(Nc1ccccc1)=S

InChI

InChI=1S/C22H23N3OS/c1-26-16-10-11-19-18(14-16)17-8-5-9-20-21(17)24(19)12-13-25(20)22(27)23-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,20H,5,8-9,12-13H2,1H3,(H,23,27)/t20-/m0/s1

InChI Key

BGCNFPPAHZPTSV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02217101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.543

Distribution Coefficient, logD

5.543

Water Solubility, LogSw

-5.63

Polar Surface Area

18.127

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5205-0053 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5205-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5205-0053?
Check Price and Availability of 5205-0053, 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 5205-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5205-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5205-0053
  • 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 5205-0053 available by request