G071-0755 Screening compound: 2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2,5-dimethylphenyl)acetamide

G071-0755 Screening compound: 2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2,5-dimethylphenyl)acetamide
G071-0755 Screening compound: 2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0755
2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2,5-dimethylphenyl)acetamide

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

G071-0755

Molecular Formula

C21H19ClN4O3S2 (C21 H19 ClN4 O3 S2)

Compound Name

2-[(8-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-(2,5-dimethylphenyl)acetamide

IUPAC name

2-({12-chloro-9-methyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-N-(25-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc(nc2)nc(-c(ccc(Cl)c3)c3N3C)c2S3(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C21H19ClN4O3S2/c1-12-4-5-13(2)16(8-12)24-19(27)11-30-21-23-10-18-20(25-21)15-7-6-14(22)9-17(15)26(3)31(18,28)29/h4-10H,11H2,1-3H3,(H,24,27)

InChI Key

MSTSCNSEWYJJEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.27

Polar Surface Area

72.895

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G071-0755 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 G071-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0755?
Check Price and Availability of G071-0755, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G071-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0755
  • 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 G071-0755 available by request