S699-1041 Screening compound: N-methyl-N-(2-{5-[1-(thiophene-2-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)oxane-4-carboxamide

S699-1041 Screening compound: N-methyl-N-(2-{5-[1-(thiophene-2-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)oxane-4-carboxamide
S699-1041 Screening compound: N-methyl-N-(2-{5-[1-(thiophene-2-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)oxane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S699-1041
N-methyl-N-(2-{5-[1-(thiophene-2-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)oxane-4-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

S699-1041

Molecular Formula

C18H24N4O5S2 (C18 H24 N4 O5 S2)

Compound Name

N-methyl-N-(2-{5-[1-(thiophene-2-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)oxane-4-carboxamide

IUPAC name

N-methyl-N-(2-{5-[1-(thiophene-2-sulfonyl)azetidin-3-yl]-124-oxadiazol-3-yl}ethyl)oxane-4-carboxamide

SMILES

CN(CCc1noc(C(C2)CN2S(c2cccs2)(=O)=O)n1)C(C1CCOCC1)=O

InChI

InChI=1S/C18H24N4O5S2/c1-21(18(23)13-5-8-26-9-6-13)7-4-15-19-17(27-20-15)14-11-22(12-14)29(24,25)16-3-2-10-28-16/h2-3,10,13-14H,4-9,11-12H2,1H3

InChI Key

KHGLZFUMILAMFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.492

Distribution Coefficient, logD

1.492

Water Solubility, LogSw

-2.31

Polar Surface Area

90.063

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S699-1041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S699-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S699-1041?
Check Price and Availability of S699-1041, 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 S699-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S699-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S699-1041
  • 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 S699-1041 available by request