8019-6796 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

8019-6796 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
8019-6796 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6796
4-(2H-1,3-benzodioxol-5-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

8019-6796

Molecular Formula

C13H11N3O3S (C13 H11 N3 O3 S)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

O=C(CSC1c(cc2)cc3c2OCO3)Nc2c1cn[nH]2

InChI

InChI=1S/C13H11N3O3S/c17-11-5-20-12(8-4-14-16-13(8)15-11)7-1-2-9-10(3-7)19-6-18-9/h1-4,12H,5-6H2,(H2,14,15,16,17)/t12-/m1/s1

InChI Key

JWKPKSNBPSXVQT-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD10038944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

1.795

Water Solubility, LogSw

-2.52

Polar Surface Area

66.501

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

8019-6796 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-6796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6796?
Check Price and Availability of 8019-6796, 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 8019-6796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6796
  • 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 8019-6796 available by request