E870-0239 Screening compound: N~1~-(3-ethylphenyl)-2-[5-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetamide

E870-0239 Screening compound: N~1~-(3-ethylphenyl)-2-[5-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetamide
E870-0239 Screening compound: N~1~-(3-ethylphenyl)-2-[5-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E870-0239
N~1~-(3-ethylphenyl)-2-[5-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]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

E870-0239

Molecular Formula

C19H22FN3O3S (C19 H22 FN3 O3 S)

Compound Name

N~1~-(3-ethylphenyl)-2-[5-(2-fluorobenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]acetamide

IUPAC name

N-(3-ethylphenyl)-2-{5-[(2-fluorophenyl)methyl]-11-dioxo-1lambda625-thiadiazolidin-2-yl}acetamide

SMILES

CCc1cccc(NC(CN(CCN2Cc(cccc3)c3F)S2(=O)=O)=O)c1

InChI

InChI=1S/C19H22FN3O3S/c1-2-15-6-5-8-17(12-15)21-19(24)14-23-11-10-22(27(23,25)26)13-16-7-3-4-9-18(16)20/h3-9,12H,2,10-11,13-14H2,1H3,(H,21,24)

InChI Key

DSQPSYVGLLNPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.55

Polar Surface Area

59.894

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with E870-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E870-0239?
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What is the minimum amount of E870-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E870-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E870-0239
  • 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 E870-0239 available by request