G071-0720 Screening compound: 2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~,N~1~-diethylacetamide

G071-0720 Screening compound: 2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~,N~1~-diethylacetamide
G071-0720 Screening compound: 2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~,N~1~-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0720
2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~,N~1~-diethylacetamide

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

G071-0720

Molecular Formula

C17H19ClN4O3S2 (C17 H19 ClN4 O3 S2)

Compound Name

2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~,N~1~-diethylacetamide

IUPAC name

2-({13-chloro-9-methyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)-NN-diethylacetamide

SMILES

CCN(CC)C(CSc(nc1-c(cc(cc2)Cl)c2N2C)ncc1S2(=O)=O)=O

InChI

InChI=1S/C17H19ClN4O3S2/c1-4-22(5-2)15(23)10-26-17-19-9-14-16(20-17)12-8-11(18)6-7-13(12)21(3)27(14,24)25/h6-9H,4-5,10H2,1-3H3

InChI Key

JBLRWNJVIUAZQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.44

Polar Surface Area

66.120

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G071-0720 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G071-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0720?
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What is the minimum amount of G071-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0720
  • 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 G071-0720 available by request