D289-0193 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cycloheptylacetamide

D289-0193 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cycloheptylacetamide
D289-0193 Screening compound: 2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0193
2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cycloheptylacetamide

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

D289-0193

Molecular Formula

C21H23BrN2O3S (C21 H23 BrN2 O3 S)

Compound Name

2-[9-bromo-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-cycloheptylacetamide

IUPAC name

2-{13-bromo-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-yl}-N-cycloheptylacetamide

SMILES

O=C(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)NC1CCCCCC1

InChI

InChI=1S/C21H23BrN2O3S/c22-15-11-12-19-18(13-15)17-9-5-6-10-20(17)28(26,27)24(19)14-21(25)23-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8,14H2,(H,23,25)

InChI Key

KVNHHAJEVYNISI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.73

Polar Surface Area

55.290

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D289-0193 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with D289-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0193?
Check Price and Availability of D289-0193, 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 D289-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0193
  • 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 D289-0193 available by request