G071-0070 Screening compound: 6-benzyl-2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

G071-0070 Screening compound: 6-benzyl-2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
G071-0070 Screening compound: 6-benzyl-2-{[2-(2,5-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 G071-0070
6-benzyl-2-{[2-(2,5-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

G071-0070

Molecular Formula

C27H23N3O5S2 (C27 H23 N3 O5 S2)

Compound Name

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

IUPAC name

9-benzyl-4-{[2-(25-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-88-dione

SMILES

COc(cc1)cc(C(CSc(nc2)nc(-c(cccc3)c3N3Cc4ccccc4)c2S3(=O)=O)=O)c1OC

InChI

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

InChI Key

HHAHRSPXHYHNFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979070

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

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.53

Polar Surface Area

77.588

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

G071-0070 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G071-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0070?
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What is the minimum amount of G071-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0070
  • 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 G071-0070 available by request