D473-0796 Screening compound: N~1~-(4-fluorophenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-0796 Screening compound: N~1~-(4-fluorophenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-0796 Screening compound: N~1~-(4-fluorophenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0796
N~1~-(4-fluorophenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

D473-0796

Molecular Formula

C18H17FN2O4S (C18 H17 FN2 O4 S)

Compound Name

N~1~-(4-fluorophenethyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-[2-(4-fluorophenyl)ethyl]-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

O=C(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)NCCc(cc1)ccc1F

InChI

InChI=1S/C18H17FN2O4S/c19-15-5-1-13(2-6-15)9-11-20-18(23)14-3-7-16(8-4-14)21-17(22)10-12-26(21,24)25/h1-8H,9-12H2,(H,20,23)

InChI Key

RIHHVGOEHRNSOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.925

Distribution Coefficient, logD

0.925

Water Solubility, LogSw

-2.28

Polar Surface Area

69.910

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with D473-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0796?
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What is the minimum amount of D473-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0796
  • 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 D473-0796 available by request