E871-0075 Screening compound: 2-(2-fluorobenzyl)-6-(4-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

E871-0075 Screening compound: 2-(2-fluorobenzyl)-6-(4-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione
E871-0075 Screening compound: 2-(2-fluorobenzyl)-6-(4-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0075
2-(2-fluorobenzyl)-6-(4-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

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

E871-0075

Molecular Formula

C17H18F2N2O2S (C17 H18 F2 N2 O2 S)

Compound Name

2-(2-fluorobenzyl)-6-(4-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

IUPAC name

2-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methyl]-1lambda626-thiadiazinane-11-dione

SMILES

O=S1(N(Cc(cccc2)c2F)CCCN1Cc(cc1)ccc1F)=O

InChI

InChI=1S/C17H18F2N2O2S/c18-16-8-6-14(7-9-16)12-20-10-3-11-21(24(20,22)23)13-15-4-1-2-5-17(15)19/h1-2,4-9H,3,10-13H2

InChI Key

IJHFYZFIEYTYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.159

Water Solubility, LogSw

-3.19

Polar Surface Area

36.379

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E871-0075 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E871-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0075?
Check Price and Availability of E871-0075, 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 E871-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0075
  • 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 E871-0075 available by request