S747-1368 Screening compound: 9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one

S747-1368 Screening compound: 9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one
S747-1368 Screening compound: 9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(3-pyridylmethyl)-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S747-1368
9-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-5-(3-pyridylmethyl)-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

S747-1368

Molecular Formula

C21H25N7O2 (C21 H25 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCN(Cc1cnccc1)CCC1)NCCC1c1nc(-c2nccnc2)no1

InChI

InChI=1S/C21H25N7O2/c29-19-6-12-28(15-16-3-1-7-22-13-16)11-2-4-17(5-8-25-19)21-26-20(27-30-21)18-14-23-9-10-24-18/h1,3,7,9-10,13-14,17H,2,4-6,8,11-12,15H2,(H,25,29)/t17-/m0/s1

InChI Key

ZXZAMYQMTPMDGI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30461865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.48

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

0.209

Distribution Coefficient, logD

-0.011

Water Solubility, LogSw

-1.11

Polar Surface Area

88.815

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S747-1368 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S747-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-1368?
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What is the minimum amount of S747-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-1368
  • 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 S747-1368 available by request