E883-0436 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide

E883-0436 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide
E883-0436 Screening compound: N~1~-[4-(aminosulfonyl)phenethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E883-0436
N~1~-[4-(aminosulfonyl)phenethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide

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

E883-0436

Molecular Formula

C19H19F3N4O5S2 (C19 H19 F3 N4 O5 S2)

Compound Name

N~1~-[4-(aminosulfonyl)phenethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl]propanamide

IUPAC name

3-[11-dioxo-6-(trifluoromethyl)-2H-1lambda624-benzothiadiazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

SMILES

NS(c1ccc(CCNC(CCC(N2)=Nc(cc(C(F)(F)F)cc3)c3S2(=O)=O)=O)cc1)(=O)=O

InChI

InChI=1S/C19H19F3N4O5S2/c20-19(21,22)13-3-6-16-15(11-13)25-17(26-33(16,30)31)7-8-18(27)24-10-9-12-1-4-14(5-2-12)32(23,28)29/h1-6,11H,7-10H2,(H,24,27)(H,25,26)(H2,23,28,29)

InChI Key

VDGKVLDNGQHSBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.228

Distribution Coefficient, logD

-0.082

Water Solubility, LogSw

-2.31

Polar Surface Area

125.540

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E883-0436 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E883-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E883-0436?
Check Price and Availability of E883-0436, 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 E883-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E883-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E883-0436
  • 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 E883-0436 available by request