E871-0194 Screening compound: 2-(2-fluorobenzyl)-6-(3-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

E871-0194 Screening compound: 2-(2-fluorobenzyl)-6-(3-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione
E871-0194 Screening compound: 2-(2-fluorobenzyl)-6-(3-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0194
2-(2-fluorobenzyl)-6-(3-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

E871-0194

Molecular Formula

C17H18F2N2O2S (C17 H18 F2 N2 O2 S)

Compound Name

2-(2-fluorobenzyl)-6-(3-fluorobenzyl)-1lambda~6~,2,6-thiadiazinane-1,1-dione

IUPAC name

2-[(2-fluorophenyl)methyl]-6-[(3-fluorophenyl)methyl]-1lambda626-thiadiazinane-11-dione

SMILES

O=S1(N(Cc(cccc2)c2F)CCCN1Cc1cc(F)ccc1)=O

InChI

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

InChI Key

KBFLRRBSARTNEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925226

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

3.252

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.35

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

References: we are preparing a list of scientific research reports with E871-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0194?
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What is the minimum amount of E871-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0194
  • 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 E871-0194 available by request