S681-0719 Screening compound: (2R,3S)-4-(2,4-dimethoxybenzyl)-N~2~-(2-methoxyethyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide

S681-0719 Screening compound: (2R,3S)-4-(2,4-dimethoxybenzyl)-N~2~-(2-methoxyethyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide
S681-0719 Screening compound: (2R,3S)-4-(2,4-dimethoxybenzyl)-N~2~-(2-methoxyethyl)-5-oxo-3-phenyl-1,4-oxazinane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S681-0719
(2R,3S)-4-(2,4-dimethoxybenzyl)-N~2~-(2-methoxyethyl)-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

S681-0719

Molecular Formula

C23H28N2O6 (C23 H28 N2 O6)

Compound Name

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

IUPAC name

n/a

SMILES

COCCNC([C@H]([C@@H](c1ccccc1)N1Cc(ccc(OC)c2)c2OC)OCC1=O)=O

InChI

InChI=1S/C23H28N2O6/c1-28-12-11-24-23(27)22-21(16-7-5-4-6-8-16)25(20(26)15-31-22)14-17-9-10-18(29-2)13-19(17)30-3/h4-10,13,21-22H,11-12,14-15H2,1-3H3,(H,24,27)/t21-,22-/m1/s1

InChI Key

BLLJAIXPGZINFT-FGZHOGPDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.913

Distribution Coefficient, logD

1.913

Water Solubility, LogSw

-2.69

Polar Surface Area

73.211

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with S681-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S681-0719?
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What is the minimum amount of S681-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S681-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S681-0719
  • 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 S681-0719 available by request