G071-0655 Screening compound: 6-(4-chlorobenzyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

G071-0655 Screening compound: 6-(4-chlorobenzyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
G071-0655 Screening compound: 6-(4-chlorobenzyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0655
6-(4-chlorobenzyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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

G071-0655

Molecular Formula

C26H20ClN3O3S2 (C26 H20 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(CSc(nc1)nc(-c(cccc2)c2N2Cc(cc3)ccc3Cl)c1S2(=O)=O)=O

InChI

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

InChI Key

AXGPFTKMOYPDGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979363

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

5.539

Distribution Coefficient, logD

5.539

Water Solubility, LogSw

-5.89

Polar Surface Area

62.413

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

G071-0655 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G071-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0655?
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What is the minimum amount of G071-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0655
  • 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 G071-0655 available by request