S747-0610 Screening compound: 5-[2-(2-methoxyethoxy)acetyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one

S747-0610 Screening compound: 5-[2-(2-methoxyethoxy)acetyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
S747-0610 Screening compound: 5-[2-(2-methoxyethoxy)acetyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S747-0610
5-[2-(2-methoxyethoxy)acetyl]-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-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

S747-0610

Molecular Formula

C21H29N5O5 (C21 H29 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COCCOCC(N(CCCC(CCN1)c2nc(-c3cnccc3)no2)CCC1=O)=O

InChI

InChI=1S/C21H29N5O5/c1-29-12-13-30-15-19(28)26-10-3-5-16(6-9-23-18(27)7-11-26)21-24-20(25-31-21)17-4-2-8-22-14-17/h2,4,8,14,16H,3,5-7,9-13,15H2,1H3,(H,23,27)/t16-/m0/s1

InChI Key

NOMHUJTWIIWPPC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30461400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.770

Distribution Coefficient, logD

-1.409

Water Solubility, LogSw

-0.66

Polar Surface Area

99.604

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S747-0610 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 S747-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-0610?
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What is the minimum amount of S747-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-0610
  • 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 S747-0610 available by request