E871-0128 Screening compound: 2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

E871-0128 Screening compound: 2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide
E871-0128 Screening compound: 2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E871-0128
2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

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

E871-0128

Molecular Formula

C19H22FN3O3S2 (C19 H22 FN3 O3 S2)

Compound Name

2-[6-(4-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{6-[(4-fluorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CSc1cccc(NC(CN(CCCN2Cc(cc3)ccc3F)S2(=O)=O)=O)c1

InChI

InChI=1S/C19H22FN3O3S2/c1-27-18-5-2-4-17(12-18)21-19(24)14-23-11-3-10-22(28(23,25)26)13-15-6-8-16(20)9-7-15/h2,4-9,12H,3,10-11,13-14H2,1H3,(H,21,24)

InChI Key

JSCQJUYJSYENOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.39

Polar Surface Area

59.528

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E871-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E871-0128?
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What is the minimum amount of E871-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E871-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E871-0128
  • 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 E871-0128 available by request