C200-3391 Screening compound: 2-amino-6-(4-chlorobenzyl)-4-(4-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

C200-3391 Screening compound: 2-amino-6-(4-chlorobenzyl)-4-(4-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
C200-3391 Screening compound: 2-amino-6-(4-chlorobenzyl)-4-(4-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3391
2-amino-6-(4-chlorobenzyl)-4-(4-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

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

C200-3391

Molecular Formula

C26H20ClN3O3S (C26 H20 ClN3 O3 S)

Compound Name

2-amino-6-(4-chlorobenzyl)-4-(4-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

IUPAC name

4-amino-9-[(4-chlorophenyl)methyl]-6-(4-methylphenyl)-88-dioxo-3-oxa-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)41012-pentaene-5-carbonitrile

SMILES

Cc1ccc(C2C(S(N(Cc(cc3)ccc3Cl)c3c4cccc3)(=O)=O)=C4OC(N)=C2C#N)cc1

InChI

InChI=1S/C26H20ClN3O3S/c1-16-6-10-18(11-7-16)23-21(14-28)26(29)33-24-20-4-2-3-5-22(20)30(34(31,32)25(23)24)15-17-8-12-19(27)13-9-17/h2-13,23H,15,29H2,1H3/t23-/m0/s1

InChI Key

HQPLMJWNYSWTDG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14726843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-5.44

Polar Surface Area

77.573

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C200-3391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3391?
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What is the minimum amount of C200-3391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3391
  • 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 C200-3391 available by request