S747-1212 Screening compound: 9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(2-thienylcarbonyl)-1,5-diazacycloundecan-2-one

S747-1212 Screening compound: 9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(2-thienylcarbonyl)-1,5-diazacycloundecan-2-one
S747-1212 Screening compound: 9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(2-thienylcarbonyl)-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S747-1212
9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(2-thienylcarbonyl)-1,5-diazacycloundecan-2-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

S747-1212

Molecular Formula

C20H22N6O3S (C20 H22 N6 O3 S)

Compound Name

9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(2-thienylcarbonyl)-1,5-diazacycloundecan-2-one

IUPAC name

9-[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]-5-(thiophene-2-carbonyl)-15-diazacycloundecan-2-one

SMILES

O=C(c1cccs1)N(CCCC(CCN1)c2nc(-c3nccnc3)no2)CCC1=O

InChI

InChI=1S/C20H22N6O3S/c27-17-6-11-26(20(28)16-4-2-12-30-16)10-1-3-14(5-7-23-17)19-24-18(25-29-19)15-13-21-8-9-22-15/h2,4,8-9,12-14H,1,3,5-7,10-11H2,(H,23,27)/t14-/m0/s1

InChI Key

BUUHSJPZPHJIKU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30461832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.996

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-1.72

Polar Surface Area

93.231

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S747-1212 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S747-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-1212?
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What is the minimum amount of S747-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-1212
  • 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 S747-1212 available by request