G071-0572 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

G071-0572 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
G071-0572 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0572
N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]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

G071-0572

Molecular Formula

C22H21ClN4O4S2 (C22 H21 ClN4 O4 S2)

Compound Name

N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-({9-ethyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

CCN(c(cccc1)c1-c1c2cnc(SCC(Nc(c(OC)c3)cc(C)c3Cl)=O)n1)S2(=O)=O

InChI

InChI=1S/C22H21ClN4O4S2/c1-4-27-17-8-6-5-7-14(17)21-19(33(27,29)30)11-24-22(26-21)32-12-20(28)25-16-9-13(2)15(23)10-18(16)31-3/h5-11H,4,12H2,1-3H3,(H,25,28)

InChI Key

KIQXREDDCJDEDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.40

Polar Surface Area

79.245

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G071-0572 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G071-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0572?
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What is the minimum amount of G071-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0572
  • 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 G071-0572 available by request