S399-1221 Screening compound: N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}cyclopentanecarboxamide

S399-1221 Screening compound: N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}cyclopentanecarboxamide
S399-1221 Screening compound: N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1221
N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}cyclopentanecarboxamide

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

S399-1221

Molecular Formula

C12H19N3O3 (C12 H19 N3 O3)

Compound Name

N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}cyclopentanecarboxamide

IUPAC name

N-{2-[5-(methoxymethyl)-124-oxadiazol-3-yl]ethyl}cyclopentanecarboxamide

SMILES

COCc1nc(CCNC(C2CCCC2)=O)no1

InChI

InChI=1S/C12H19N3O3/c1-17-8-11-14-10(15-18-11)6-7-13-12(16)9-4-2-3-5-9/h9H,2-8H2,1H3,(H,13,16)

InChI Key

WALGICNPZHDBKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-1.31

Polar Surface Area

66.080

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

S399-1221 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S399-1221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1221?
Check Price and Availability of S399-1221, 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 S399-1221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1221
  • 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 S399-1221 available by request