SA87-0742 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-3-fluoropyridine-2-carboxamide

SA87-0742 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-3-fluoropyridine-2-carboxamide
SA87-0742 Screening compound: N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-3-fluoropyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA87-0742
N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-3-fluoropyridine-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

SA87-0742

Molecular Formula

C18H18FN3O3 (C18 H18 FN3 O3)

Compound Name

N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-3-fluoropyridine-2-carboxamide

IUPAC name

N-[(4-benzyl-5-oxomorpholin-2-yl)methyl]-3-fluoropyridine-2-carboxamide

SMILES

O=C(c(nccc1)c1F)NCC(CN1Cc2ccccc2)OCC1=O

InChI

InChI=1S/C18H18FN3O3/c19-15-7-4-8-20-17(15)18(24)21-9-14-11-22(16(23)12-25-14)10-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H,21,24)/t14-/m0/s1

InChI Key

SLOPNTHVICPWSQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32242800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.467

Distribution Coefficient, logD

0.467

Water Solubility, LogSw

-1.73

Polar Surface Area

59.894

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

SA87-0742 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA87-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA87-0742?
Check Price and Availability of SA87-0742, 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 SA87-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA87-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA87-0742
  • 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 SA87-0742 available by request