8015-4226 Screening compound: 3-[(5-bromo-2-thienyl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

8015-4226 Screening compound: 3-[(5-bromo-2-thienyl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
8015-4226 Screening compound: 3-[(5-bromo-2-thienyl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4226
3-[(5-bromo-2-thienyl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

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

8015-4226

Molecular Formula

C19H19BrN2O2S2 (C19 H19 BrN2 O2 S2)

Compound Name

3-[(5-bromo-2-thienyl)sulfonyl]-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

IUPAC name

4-[(5-bromothiophen-2-yl)sulfonyl]-12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)101214-tetraene

SMILES

Cc(cc1)cc2c1n(CC1)c3c2CCCC3N1S(c(s1)ccc1Br)(=O)=O

InChI

InChI=1S/C19H19BrN2O2S2/c1-12-5-6-15-14(11-12)13-3-2-4-16-19(13)21(15)9-10-22(16)26(23,24)18-8-7-17(20)25-18/h5-8,11,16H,2-4,9-10H2,1H3/t16-/m0/s1

InChI Key

MMGCJKVNJISEGN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04061405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.856

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-5.58

Polar Surface Area

33.191

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8015-4226 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-4226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4226?
Check Price and Availability of 8015-4226, 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 8015-4226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4226
  • 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 8015-4226 available by request