E738-0186 Screening compound: 2-amino-4-(2-chlorophenyl)-6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0186 Screening compound: 2-amino-4-(2-chlorophenyl)-6-(4-fluorobenzyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0186 Screening compound: 2-amino-4-(2-chlorophenyl)-6-(4-fluorobenzyl)-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 E738-0186
2-amino-4-(2-chlorophenyl)-6-(4-fluorobenzyl)-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

E738-0186

Molecular Formula

C25H17ClFN3O3S (C25 H17 ClFN3 O3 S)

Compound Name

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

IUPAC name

4-amino-6-(2-chlorophenyl)-9-[(4-fluorophenyl)methyl]-88-dioxo-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)ccc2F)=C(C2c(cccc3)c3Cl)S1(=O)=O)=C2C#N

InChI

InChI=1S/C25H17ClFN3O3S/c26-20-7-3-1-5-17(20)22-19(13-28)25(29)33-23-18-6-2-4-8-21(18)30(34(31,32)24(22)23)14-15-9-11-16(27)12-10-15/h1-12,22H,14,29H2/t22-/m0/s1

InChI Key

RHOVMSYQFSNQQL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14914439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.95

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

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.95

Polar Surface Area

77.573

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

E738-0186 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E738-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0186?
Check Price and Availability of E738-0186, 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 E738-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0186
  • 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 E738-0186 available by request