S828-4415 Screening compound: 1-{4,4-difluoro-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

S828-4415 Screening compound: 1-{4,4-difluoro-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one
S828-4415 Screening compound: 1-{4,4-difluoro-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-4415
1-{4,4-difluoro-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

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

S828-4415

Molecular Formula

C15H16F2N4O3 (C15 H16 F2 N4 O3)

Compound Name

1-{4,4-difluoro-2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl}-3-methoxypropan-1-one

IUPAC name

1-[(2S)-44-difluoro-2-[5-(pyridin-4-yl)-134-oxadiazol-2-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one

SMILES

COCCC(N(CC(C1)(F)F)[C@@H]1c1nnc(-c2ccncc2)o1)=O

InChI

InChI=1S/C15H16F2N4O3/c1-23-7-4-12(22)21-9-15(16,17)8-11(21)14-20-19-13(24-14)10-2-5-18-6-3-10/h2-3,5-6,11H,4,7-9H2,1H3/t11-/m1/s1

InChI Key

OQPIRJMSEHQZFR-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.790

Distribution Coefficient, logD

0.789

Water Solubility, LogSw

-1.01

Polar Surface Area

64.639

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S828-4415 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S828-4415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-4415?
Check Price and Availability of S828-4415, 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 S828-4415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-4415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-4415
  • 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 S828-4415 available by request