C200-5109 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

C200-5109 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-{[6-(3-methylbenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
C200-5109 Screening compound: N~1~-(3,4-dimethoxyphenyl)-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 C200-5109
N~1~-(3,4-dimethoxyphenyl)-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

C200-5109

Molecular Formula

C28H26N4O5S2 (C28 H26 N4 O5 S2)

Compound Name

N~1~-(3,4-dimethoxyphenyl)-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-(34-dimethoxyphenyl)-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(Nc(cc4)cc(OC)c4OC)=O)n2)S3(=O)=O)c1

InChI

InChI=1S/C28H26N4O5S2/c1-18-7-6-8-19(13-18)16-32-22-10-5-4-9-21(22)27-25(39(32,34)35)15-29-28(31-27)38-17-26(33)30-20-11-12-23(36-2)24(14-20)37-3/h4-15H,16-17H2,1-3H3,(H,30,33)

InChI Key

ITGOBEZCRDTSIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-4.40

Polar Surface Area

87.577

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C200-5109 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C200-5109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5109?
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What is the minimum amount of C200-5109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5109
  • 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 C200-5109 available by request