S681-0874 Screening compound: (2S,3R)-4-cyclopentyl-N~2~-(3-fluorobenzyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide

S681-0874 Screening compound: (2S,3R)-4-cyclopentyl-N~2~-(3-fluorobenzyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide
S681-0874 Screening compound: (2S,3R)-4-cyclopentyl-N~2~-(3-fluorobenzyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S681-0874
(2S,3R)-4-cyclopentyl-N~2~-(3-fluorobenzyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide

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

S681-0874

Molecular Formula

C23H25FN2O3 (C23 H25 FN2 O3)

Compound Name

(2S,3R)-4-cyclopentyl-N~2~-(3-fluorobenzyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide

IUPAC name

n/a

SMILES

O=C([C@H]([C@@H](c1ccccc1)N1C2CCCC2)OCC1=O)NCc1cccc(F)c1

InChI

InChI=1S/C23H25FN2O3/c24-18-10-6-7-16(13-18)14-25-23(28)22-21(17-8-2-1-3-9-17)26(20(27)15-29-22)19-11-4-5-12-19/h1-3,6-10,13,19,21-22H,4-5,11-12,14-15H2,(H,25,28)/t21-,22+/m1/s1

InChI Key

ZFKUFPGJHYRJBB-YADHBBJMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.18

Polar Surface Area

49.169

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-3.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with S681-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S681-0874?
Check Price and Availability of S681-0874, 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 S681-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S681-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S681-0874
  • 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 S681-0874 available by request