C200-4391 Screening compound: N~1~-(2,5-dimethylphenyl)-2-{[6-(3-methoxybenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

C200-4391 Screening compound: N~1~-(2,5-dimethylphenyl)-2-{[6-(3-methoxybenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
C200-4391 Screening compound: N~1~-(2,5-dimethylphenyl)-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 C200-4391
N~1~-(2,5-dimethylphenyl)-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

C200-4391

Molecular Formula

C28H26N4O4S2 (C28 H26 N4 O4 S2)

Compound Name

N~1~-(2,5-dimethylphenyl)-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-(25-dimethylphenyl)-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

Cc1cc(NC(CSc(nc2)nc(-c(cccc3)c3N3Cc4cc(OC)ccc4)c2S3(=O)=O)=O)c(C)cc1

InChI

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

InChI Key

BZWGCWBQYSUZJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727360

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

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.31

Polar Surface Area

79.162

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with C200-4391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4391?
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What is the minimum amount of C200-4391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4391
  • 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 C200-4391 available by request