G071-0405 Screening compound: N~1~-(4-ethoxyphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0405 Screening compound: N~1~-(4-ethoxyphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0405 Screening compound: N~1~-(4-ethoxyphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G071-0405
N~1~-(4-ethoxyphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}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

G071-0405

Molecular Formula

C28H26N4O4S2 (C28 H26 N4 O4 S2)

Compound Name

N~1~-(4-ethoxyphenyl)-2-{[6-(2-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSc(nc1)nc(-c(cccc2)c2N2Cc3c(C)cccc3)c1S2(=O)=O)=O

InChI

InChI=1S/C28H26N4O4S2/c1-3-36-22-14-12-21(13-15-22)30-26(33)18-37-28-29-16-25-27(31-28)23-10-6-7-11-24(23)32(38(25,34)35)17-20-9-5-4-8-19(20)2/h4-16H,3,17-18H2,1-2H3,(H,30,33)

InChI Key

JRXZZMUFFHZYJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.519

Distribution Coefficient, logD

5.519

Water Solubility, LogSw

-5.24

Polar Surface Area

79.439

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

G071-0405 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G071-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0405?
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What is the minimum amount of G071-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0405
  • 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 G071-0405 available by request