S633-1918 Screening compound: 1-(2-{3-[1-(3-thienylcarbonyl)-3-azetanyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-1-ethanone

S633-1918 Screening compound: 1-(2-{3-[1-(3-thienylcarbonyl)-3-azetanyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-1-ethanone
S633-1918 Screening compound: 1-(2-{3-[1-(3-thienylcarbonyl)-3-azetanyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S633-1918
1-(2-{3-[1-(3-thienylcarbonyl)-3-azetanyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-1-ethanone

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

S633-1918

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

1-(2-{3-[1-(3-thienylcarbonyl)-3-azetanyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl)-1-ethanone

IUPAC name

n/a

SMILES

CC(N(CCC1)C1c1nc(C(C2)CN2C(c2cscc2)=O)no1)=O

InChI

InChI=1S/C16H18N4O3S/c1-10(21)20-5-2-3-13(20)15-17-14(18-23-15)12-7-19(8-12)16(22)11-4-6-24-9-11/h4,6,9,12-13H,2-3,5,7-8H2,1H3/t13-/m0/s1

InChI Key

VBRVWNYFQVCGLN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29013500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.002

Distribution Coefficient, logD

1.002

Water Solubility, LogSw

-1.99

Polar Surface Area

66.956

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S633-1918 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S633-1918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S633-1918?
Check Price and Availability of S633-1918, 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 S633-1918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S633-1918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S633-1918
  • 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 S633-1918 available by request