D239-0035 Screening compound: 3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

D239-0035 Screening compound: 3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate
D239-0035 Screening compound: 3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D239-0035
3-benzoyl-2-benzyl-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

D239-0035

Molecular Formula

C27H19NO6S (C27 H19 NO6 S)

Compound Name

3-benzoyl-2-benzyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-furoate

IUPAC name

3-benzoyl-2-benzyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl furan-2-carboxylate

SMILES

O=C(c1ccco1)OC(c1c2cccc1)=C(C(c1ccccc1)=O)N(Cc1ccccc1)S2(=O)=O

InChI

InChI=1S/C27H19NO6S/c29-25(20-12-5-2-6-13-20)24-26(34-27(30)22-15-9-17-33-22)21-14-7-8-16-23(21)35(31,32)28(24)18-19-10-3-1-4-11-19/h1-17H,18H2

InChI Key

LJCJLBFGULNJDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10700434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.751

Water Solubility, LogSw

-4.93

Polar Surface Area

74.413

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

-13.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

D239-0035 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D239-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D239-0035?
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What is the minimum amount of D239-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D239-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D239-0035
  • 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 D239-0035 available by request