S827-2753 Screening compound: 1-{(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-2-phenoxy-1-ethanone

S827-2753 Screening compound: 1-{(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-2-phenoxy-1-ethanone
S827-2753 Screening compound: 1-{(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-2-phenoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2753
1-{(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-2-phenoxy-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

S827-2753

Molecular Formula

C16H17F2N3O4 (C16 H17 F2 N3 O4)

Compound Name

1-{(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}-2-phenoxy-1-ethanone

IUPAC name

1-[(2S)-44-difluoro-2-[3-(methoxymethyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenoxyethan-1-one

SMILES

COCc1noc([C@H](CC(C2)(F)F)N2C(COc2ccccc2)=O)n1

InChI

InChI=1S/C16H17F2N3O4/c1-23-8-13-19-15(25-20-13)12-7-16(17,18)10-21(12)14(22)9-24-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1

InChI Key

IPIAWGNNFGKLNR-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

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

1.956

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.27

Polar Surface Area

64.944

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S827-2753 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S827-2753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2753?
Check Price and Availability of S827-2753, 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 S827-2753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2753
  • 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 S827-2753 available by request