G071-0445 Screening compound: 2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-phenylacetamide

G071-0445 Screening compound: 2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-phenylacetamide
G071-0445 Screening compound: 2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0445
2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N~1~-phenylacetamide

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

G071-0445

Molecular Formula

C19H16N4O3S2 (C19 H16 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1-c1c2cnc(SCC(Nc3ccccc3)=O)n1)S2(=O)=O

InChI

InChI=1S/C19H16N4O3S2/c1-23-15-10-6-5-9-14(15)18-16(28(23,25)26)11-20-19(22-18)27-12-17(24)21-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,21,24)

InChI Key

VUAVUEFABGQGCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.77

Polar Surface Area

73.593

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G071-0445 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G071-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0445?
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What is the minimum amount of G071-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0445
  • 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 G071-0445 available by request