G071-0434 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylbenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

G071-0434 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylbenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
G071-0434 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylbenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0434
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylbenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

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

G071-0434

Molecular Formula

C26H20ClN3O3S2 (C26 H20 ClN3 O3 S2)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(2-methylbenzyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

IUPAC name

4-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-9-[(2-methylphenyl)methyl]-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-88-dione

SMILES

Cc1c(CN(c(cccc2)c2-c2c3cnc(SCC(c(cc4)ccc4Cl)=O)n2)S3(=O)=O)cccc1

InChI

InChI=1S/C26H20ClN3O3S2/c1-17-6-2-3-7-19(17)15-30-22-9-5-4-8-21(22)25-24(35(30,32)33)14-28-26(29-25)34-16-23(31)18-10-12-20(27)13-11-18/h2-14H,15-16H2,1H3

InChI Key

MOASUZZTPAOWRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.05

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.872

Distribution Coefficient, logD

5.872

Water Solubility, LogSw

-5.95

Polar Surface Area

62.413

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

G071-0434 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G071-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0434?
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What is the minimum amount of G071-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0434
  • 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 G071-0434 available by request