S427-0931 Screening compound: 2-[3-({1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-3-yl}methyl)-1,2,4-oxadiazol-5-yl]pyrazine

S427-0931 Screening compound: 2-[3-({1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-3-yl}methyl)-1,2,4-oxadiazol-5-yl]pyrazine
S427-0931 Screening compound: 2-[3-({1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-3-yl}methyl)-1,2,4-oxadiazol-5-yl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0931
2-[3-({1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-3-yl}methyl)-1,2,4-oxadiazol-5-yl]pyrazine

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

S427-0931

Molecular Formula

C25H26N6O2 (C25 H26 N6 O2)

Compound Name

2-[3-({1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-3-yl}methyl)-1,2,4-oxadiazol-5-yl]pyrazine

IUPAC name

2-[3-({1-[4-(25-dimethyl-1H-pyrrol-1-yl)benzoyl]piperidin-3-yl}methyl)-124-oxadiazol-5-yl]pyrazine

SMILES

Cc1ccc(C)n1-c(cc1)ccc1C(N1CC(Cc2noc(-c3nccnc3)n2)CCC1)=O

InChI

InChI=1S/C25H26N6O2/c1-17-5-6-18(2)31(17)21-9-7-20(8-10-21)25(32)30-13-3-4-19(16-30)14-23-28-24(33-29-23)22-15-26-11-12-27-22/h5-12,15,19H,3-4,13-14,16H2,1-2H3/t19-/m1/s1

InChI Key

VORGYIXFSJOYAK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD29008153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-2.80

Polar Surface Area

70.671

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

S427-0931 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S427-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0931?
Check Price and Availability of S427-0931, 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 S427-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0931
  • 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 S427-0931 available by request