C200-4386 Screening compound: N~1~-(3-chlorophenyl)-2-{[6-(3-methoxybenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

C200-4386 Screening compound: N~1~-(3-chlorophenyl)-2-{[6-(3-methoxybenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
C200-4386 Screening compound: N~1~-(3-chlorophenyl)-2-{[6-(3-methoxybenzyl)-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 C200-4386
N~1~-(3-chlorophenyl)-2-{[6-(3-methoxybenzyl)-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

C200-4386

Molecular Formula

C26H21ClN4O4S2 (C26 H21 ClN4 O4 S2)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-2-({9-[(3-methoxyphenyl)methyl]-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

COc1cccc(CN(c(cccc2)c2-c2c3cnc(SCC(Nc4cccc(Cl)c4)=O)n2)S3(=O)=O)c1

InChI

InChI=1S/C26H21ClN4O4S2/c1-35-20-9-4-6-17(12-20)15-31-22-11-3-2-10-21(22)25-23(37(31,33)34)14-28-26(30-25)36-16-24(32)29-19-8-5-7-18(27)13-19/h2-14H,15-16H2,1H3,(H,29,32)

InChI Key

CJSJHXADRAGYGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.06

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-5.45

Polar Surface Area

79.860

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C200-4386 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 C200-4386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4386?
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What is the minimum amount of C200-4386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4386
  • 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 C200-4386 available by request