E738-0162 Screening compound: 2-amino-6-(4-fluorobenzyl)-4-(4-hydroxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide

E738-0162 Screening compound: 2-amino-6-(4-fluorobenzyl)-4-(4-hydroxyphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-3-yl cyanide
E738-0162 Screening compound: 2-amino-6-(4-fluorobenzyl)-4-(4-hydroxyphenyl)-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 E738-0162
2-amino-6-(4-fluorobenzyl)-4-(4-hydroxyphenyl)-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

E738-0162

Molecular Formula

C25H18FN3O4S (C25 H18 FN3 O4 S)

Compound Name

2-amino-6-(4-fluorobenzyl)-4-(4-hydroxyphenyl)-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-fluorophenyl)methyl]-6-(4-hydroxyphenyl)-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(cc3)ccc3O)S1(=O)=O)=C2C#N

InChI

InChI=1S/C25H18FN3O4S/c26-17-9-5-15(6-10-17)14-29-21-4-2-1-3-19(21)23-24(34(29,31)32)22(20(13-27)25(28)33-23)16-7-11-18(30)12-8-16/h1-12,22,30H,14,28H2/t22-/m0/s1

InChI Key

DGGGGHXNWJUQIB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14914427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.77

Polar Surface Area

95.190

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

E738-0162 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 E738-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E738-0162?
Check Price and Availability of E738-0162, 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 E738-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E738-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E738-0162
  • 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 E738-0162 available by request