D097-0004 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-chlorobenzamide

D097-0004 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-chlorobenzamide
D097-0004 Screening compound: N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0004
N~1~-(3-benzoyl-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl)-4-chlorobenzamide

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

D097-0004

Molecular Formula

C23H17ClN2O4S (C23 H17 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(c1ccccc1)=O)=C(c1c2cccc1)NC(c(cc1)ccc1Cl)=O)S2(=O)=O

InChI

InChI=1S/C23H17ClN2O4S/c1-26-21(22(27)15-7-3-2-4-8-15)20(18-9-5-6-10-19(18)31(26,29)30)25-23(28)16-11-13-17(24)14-12-16/h2-14H,1H3,(H,25,28)

InChI Key

RESTWSDOUGOLLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

-0.841

Water Solubility, LogSw

-4.95

Polar Surface Area

69.706

Acid Dissociation Constant (pKa)

1.77

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

D097-0004 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 D097-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0004?
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What is the minimum amount of D097-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0004
  • 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 D097-0004 available by request