D239-0034 Screening compound: 3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

D239-0034 Screening compound: 3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate
D239-0034 Screening compound: 3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0034
3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

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

D239-0034

Molecular Formula

C24H22N2O6S (C24 H22 N2 O6 S)

Compound Name

3-benzoyl-2-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

IUPAC name

3-benzoyl-2-[2-(dimethylamino)ethyl]-11-dioxo-2H-1lambda62-benzothiazin-4-yl furan-2-carboxylate

SMILES

CN(C)CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(c1ccco1)=O)S2(=O)=O

InChI

InChI=1S/C24H22N2O6S/c1-25(2)14-15-26-21(22(27)17-9-4-3-5-10-17)23(32-24(28)19-12-8-16-31-19)18-11-6-7-13-20(18)33(26,29)30/h3-13,16H,14-15H2,1-2H3

InChI Key

YYVIPNWVJVAGJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10700415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.65

Polar Surface Area

78.529

Acid Dissociation Constant (pKa)

27.69

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D239-0034 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D239-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0034?
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What is the minimum amount of D239-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0034
  • 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 D239-0034 available by request