G071-0508 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione

G071-0508 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
G071-0508 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0508
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-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

G071-0508

Molecular Formula

C19H14ClN3O3S2 (C19 H14 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1-c1c2cnc(SCC(c(cc3)ccc3Cl)=O)n1)S2(=O)=O

InChI

InChI=1S/C19H14ClN3O3S2/c1-23-15-5-3-2-4-14(15)18-17(28(23,25)26)10-21-19(22-18)27-11-16(24)12-6-8-13(20)9-7-12/h2-10H,11H2,1H3

InChI Key

VNXHEBLLVGYAKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00098673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.44

Polar Surface Area

63.690

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G071-0508 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G071-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0508?
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What is the minimum amount of G071-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0508
  • 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 G071-0508 available by request