G071-0656 Screening compound: 6-(4-chlorobenzyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

G071-0656 Screening compound: 6-(4-chlorobenzyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
G071-0656 Screening compound: 6-(4-chlorobenzyl)-2-{[2-(4-chlorophenyl)-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 G071-0656
6-(4-chlorobenzyl)-2-{[2-(4-chlorophenyl)-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

G071-0656

Molecular Formula

C25H17Cl2N3O3S2 (C25 H17 Cl2 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(nc1)nc(-c(cccc2)c2N2Cc(cc3)ccc3Cl)c1S2(=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C25H17Cl2N3O3S2/c26-18-9-5-16(6-10-18)14-30-21-4-2-1-3-20(21)24-23(35(30,32)33)13-28-25(29-24)34-15-22(31)17-7-11-19(27)12-8-17/h1-13H,14-15H2

InChI Key

WQPZUSWZJDAPAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.47

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

5.711

Distribution Coefficient, logD

5.711

Water Solubility, LogSw

-6.02

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

8.00

G071-0656 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 G071-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0656?
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What is the minimum amount of G071-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0656
  • 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 G071-0656 available by request