G071-0066 Screening compound: 6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

G071-0066 Screening compound: 6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
G071-0066 Screening compound: 6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-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 G071-0066
6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-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

G071-0066

Molecular Formula

C27H23N3O5S2 (C27 H23 N3 O5 S2)

Compound Name

6-benzyl-2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

IUPAC name

9-benzyl-4-{[2-(34-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-88-dione

SMILES

COc(ccc(C(CSc(nc1)nc(-c(cccc2)c2N2Cc3ccccc3)c1S2(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C27H23N3O5S2/c1-34-23-13-12-19(14-24(23)35-2)22(31)17-36-27-28-15-25-26(29-27)20-10-6-7-11-21(20)30(37(25,32)33)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3

InChI Key

RIRRQANAOVWRGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.33

Polar Surface Area

77.674

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-0066 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G071-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0066?
Check Price and Availability of G071-0066, 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 G071-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0066
  • 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 G071-0066 available by request