3704-0275 Screening compound: 3-benzoyl-1,1-dioxo-2-(2-oxo-2-phenylethyl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate

3704-0275 Screening compound: 3-benzoyl-1,1-dioxo-2-(2-oxo-2-phenylethyl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate
3704-0275 Screening compound: 3-benzoyl-1,1-dioxo-2-(2-oxo-2-phenylethyl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3704-0275
3-benzoyl-1,1-dioxo-2-(2-oxo-2-phenylethyl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate

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

3704-0275

Molecular Formula

C23H16NO5S (C23 H16 NO5 S)

Compound Name

3-benzoyl-1,1-dioxo-2-(2-oxo-2-phenylethyl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate

IUPAC name

3-benzoyl-11-dioxo-2-(2-oxo-2-phenylethyl)-2H-1lambda62-benzothiazin-4-olate

SMILES

[O-]C(c1c2cccc1)=C(C(c1ccccc1)=O)N(CC(c1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C23H17NO5S/c25-19(16-9-3-1-4-10-16)15-24-21(22(26)17-11-5-2-6-12-17)23(27)18-13-7-8-14-20(18)30(24,28)29/h1-14,27H,15H2/p-1

InChI Key

NXGMFIRHQMZBHJ-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD02221687

Chemical and Physical Properties

Saltdata

(C2H5)2NH2+

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.93

Polar Surface Area

73.457

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

-10.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.35

3704-0275 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 3704-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3704-0275?
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What is the minimum amount of 3704-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3704-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3704-0275
  • 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 3704-0275 available by request