G071-0731 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~-(3-phenylpropyl)acetamide

G071-0731 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~-(3-phenylpropyl)acetamide
G071-0731 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~-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0731
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~-(3-phenylpropyl)acetamide

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

G071-0731

Molecular Formula

C22H21ClN4O3S2 (C22 H21 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~-(3-phenylpropyl)acetamide

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)-N-(3-phenylpropyl)acetamide

SMILES

CN(c(ccc(Cl)c1)c1-c1nc(SCC(NCCCc2ccccc2)=O)ncc11)S1(=O)=O

InChI

InChI=1S/C22H21ClN4O3S2/c1-27-18-10-9-16(23)12-17(18)21-19(32(27,29)30)13-25-22(26-21)31-14-20(28)24-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,24,28)

InChI Key

VFHIGMXNLRYCKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.60

Polar Surface Area

74.756

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G071-0731 in Drug Discovery

Included in Screening Libraries

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 G071-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0731?
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What is the minimum amount of G071-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0731
  • 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 G071-0731 available by request