S760-0016 Screening compound: (2S,3R)-N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-6-oxohexahydro-3-pyridinecarboxamide

S760-0016 Screening compound: (2S,3R)-N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-6-oxohexahydro-3-pyridinecarboxamide
S760-0016 Screening compound: (2S,3R)-N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-6-oxohexahydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S760-0016
(2S,3R)-N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-6-oxohexahydro-3-pyridinecarboxamide

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

S760-0016

Molecular Formula

C16H20N2O5 (C16 H20 N2 O5)

Compound Name

(2S,3R)-N~3~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-6-oxohexahydro-3-pyridinecarboxamide

IUPAC name

n/a

SMILES

COC[C@@H]([C@H](CC1)C(Nc(cc2)cc3c2OCCO3)=O)NC1=O

InChI

InChI=1S/C16H20N2O5/c1-21-9-12-11(3-5-15(19)18-12)16(20)17-10-2-4-13-14(8-10)23-7-6-22-13/h2,4,8,11-12H,3,5-7,9H2,1H3,(H,17,20)(H,18,19)/t11-,12+/m1/s1

InChI Key

WHHOKGQWHSQVJF-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.118

Distribution Coefficient, logD

-0.118

Water Solubility, LogSw

-2.33

Polar Surface Area

73.487

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S760-0016 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S760-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S760-0016?
Check Price and Availability of S760-0016, 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 S760-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S760-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S760-0016
  • 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 S760-0016 available by request