D097-0002 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-phenoxyacetamide

D097-0002 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-phenoxyacetamide
D097-0002 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0002
N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-phenoxyacetamide

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

D097-0002

Molecular Formula

C24H20N2O5S (C24 H20 N2 O5 S)

Compound Name

N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-2-phenoxyacetamide

IUPAC name

N-(3-benzoyl-2-methyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl)-2-phenoxyacetamide

SMILES

CN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(COc1ccccc1)=O)S2(=O)=O

InChI

InChI=1S/C24H20N2O5S/c1-26-23(24(28)17-10-4-2-5-11-17)22(19-14-8-9-15-20(19)32(26,29)30)25-21(27)16-31-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,25,27)

InChI Key

JSMXBAPNVVSGRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

0.938

Water Solubility, LogSw

-4.32

Polar Surface Area

76.992

Acid Dissociation Constant (pKa)

4.16

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D097-0002 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 D097-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0002?
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What is the minimum amount of D097-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0002
  • 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 D097-0002 available by request