S747-0002 Screening compound: 9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one

S747-0002 Screening compound: 9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
S747-0002 Screening compound: 9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S747-0002
9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[(pyridin-3-yl)methyl]-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

S747-0002

Molecular Formula

C20H29N5O2 (C20 H29 N5 O2)

Compound Name

9-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one

IUPAC name

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

SMILES

CC(C)c1noc(C(CCCN(Cc2cnccc2)CC2)CCNC2=O)n1

InChI

InChI=1S/C20H29N5O2/c1-15(2)19-23-20(27-24-19)17-6-4-11-25(12-8-18(26)22-10-7-17)14-16-5-3-9-21-13-16/h3,5,9,13,15,17H,4,6-8,10-12,14H2,1-2H3,(H,22,26)/t17-/m0/s1

InChI Key

NIKARZYNFKHCBH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30461216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-1.31

Polar Surface Area

70.521

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S747-0002 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 S747-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-0002?
Check Price and Availability of S747-0002, 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 S747-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-0002
  • 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 S747-0002 available by request