C200-3392 Screening compound: 2-amino-6-(4-chlorobenzyl)-5,5-dioxo-4-(3-pyridyl)-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

C200-3392 Screening compound: 2-amino-6-(4-chlorobenzyl)-5,5-dioxo-4-(3-pyridyl)-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
C200-3392 Screening compound: 2-amino-6-(4-chlorobenzyl)-5,5-dioxo-4-(3-pyridyl)-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 C200-3392
2-amino-6-(4-chlorobenzyl)-5,5-dioxo-4-(3-pyridyl)-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

C200-3392

Molecular Formula

C24H17ClN4O3S (C24 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

NC(OC(c(cccc1)c1N1Cc(cc2)ccc2Cl)=C(C2c3cnccc3)S1(=O)=O)=C2C#N

InChI

InChI=1S/C24H17ClN4O3S/c25-17-9-7-15(8-10-17)14-29-20-6-2-1-5-18(20)22-23(33(29,30)31)21(16-4-3-11-28-13-16)19(12-26)24(27)32-22/h1-11,13,21H,14,27H2/t21-/m0/s1

InChI Key

IRNNKXJNOIFNIG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14726844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-4.13

Polar Surface Area

87.091

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

C200-3392 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-3392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3392?
Check Price and Availability of C200-3392, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-3392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3392
  • 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 C200-3392 available by request