G071-0329 Screening compound: N~1~-(2,3-dimethylphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

G071-0329 Screening compound: N~1~-(2,3-dimethylphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
G071-0329 Screening compound: N~1~-(2,3-dimethylphenyl)-2-{[6-(3-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 G071-0329
N~1~-(2,3-dimethylphenyl)-2-{[6-(3-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

G071-0329

Molecular Formula

C28H26N4O3S2 (C28 H26 N4 O3 S2)

Compound Name

N~1~-(2,3-dimethylphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(23-dimethylphenyl)-2-({9-[(3-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

Cc1cccc(CN(c(cccc2)c2-c2c3cnc(SCC(Nc4c(C)c(C)ccc4)=O)n2)S3(=O)=O)c1

InChI

InChI=1S/C28H26N4O3S2/c1-18-8-6-10-21(14-18)16-32-24-13-5-4-11-22(24)27-25(37(32,34)35)15-29-28(31-27)36-17-26(33)30-23-12-7-9-19(2)20(23)3/h4-15H,16-17H2,1-3H3,(H,30,33)

InChI Key

SKHUSJWUSJADPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14979189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.671

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.31

Polar Surface Area

71.618

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

G071-0329 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G071-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G071-0329?
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What is the minimum amount of G071-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G071-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G071-0329
  • 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 G071-0329 available by request