S699-0190 Screening compound: N-[2-(5-{1-[(3-fluoropyridin-4-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide

S699-0190 Screening compound: N-[2-(5-{1-[(3-fluoropyridin-4-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide
S699-0190 Screening compound: N-[2-(5-{1-[(3-fluoropyridin-4-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-0190
N-[2-(5-{1-[(3-fluoropyridin-4-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide

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

S699-0190

Molecular Formula

C16H20FN5O2 (C16 H20 FN5 O2)

Compound Name

N-[2-(5-{1-[(3-fluoropyridin-4-yl)methyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)ethyl]-N-methylacetamide

IUPAC name

N-[2-(5-{1-[(3-fluoropyridin-4-yl)methyl]azetidin-3-yl}-124-oxadiazol-3-yl)ethyl]-N-methylacetamide

SMILES

CC(N(C)CCc1noc(C2CN(Cc(ccnc3)c3F)C2)n1)=O

InChI

InChI=1S/C16H20FN5O2/c1-11(23)21(2)6-4-15-19-16(24-20-15)13-9-22(10-13)8-12-3-5-18-7-14(12)17/h3,5,7,13H,4,6,8-10H2,1-2H3

InChI Key

QVEPAHAUXAXZNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.871

Distribution Coefficient, logD

0.017

Water Solubility, LogSw

-0.90

Polar Surface Area

63.223

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S699-0190 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S699-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-0190?
Check Price and Availability of S699-0190, 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 S699-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-0190
  • 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 S699-0190 available by request