D289-0080 Screening compound: 6-[2-(1-azepanyl)-2-oxoethyl]-9-bromo-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

D289-0080 Screening compound: 6-[2-(1-azepanyl)-2-oxoethyl]-9-bromo-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
D289-0080 Screening compound: 6-[2-(1-azepanyl)-2-oxoethyl]-9-bromo-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D289-0080
6-[2-(1-azepanyl)-2-oxoethyl]-9-bromo-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

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

D289-0080

Molecular Formula

C20H21BrN2O3S (C20 H21 BrN2 O3 S)

Compound Name

6-[2-(1-azepanyl)-2-oxoethyl]-9-bromo-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione

IUPAC name

9-[2-(azepan-1-yl)-2-oxoethyl]-13-bromo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaene-88-dione

SMILES

O=C(CN(c(ccc(Br)c1)c1-c1c2cccc1)S2(=O)=O)N1CCCCCC1

InChI

InChI=1S/C20H21BrN2O3S/c21-15-9-10-18-17(13-15)16-7-3-4-8-19(16)27(25,26)23(18)14-20(24)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2

InChI Key

CLVUTDMYTDOOSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09219368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.12

Polar Surface Area

47.485

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D289-0080 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D289-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D289-0080?
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What is the minimum amount of D289-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D289-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D289-0080
  • 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 D289-0080 available by request