S747-0860 Screening compound: 5-(2,3-dihydro-1H-indene-5-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one

S747-0860 Screening compound: 5-(2,3-dihydro-1H-indene-5-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one
S747-0860 Screening compound: 5-(2,3-dihydro-1H-indene-5-sulfonyl)-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 S747-0860
5-(2,3-dihydro-1H-indene-5-sulfonyl)-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

S747-0860

Molecular Formula

C25H29N5O4S (C25 H29 N5 O4 S)

Compound Name

5-(2,3-dihydro-1H-indene-5-sulfonyl)-9-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-1,5-diazacycloundecan-2-one

IUPAC name

5-(23-dihydro-1H-indene-5-sulfonyl)-9-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-15-diazacycloundecan-2-one

SMILES

O=C(CCN(CCC1)S(c2cc(CCC3)c3cc2)(=O)=O)NCCC1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C25H29N5O4S/c31-23-11-15-30(35(32,33)22-9-8-18-4-1-5-20(18)16-22)14-3-7-19(10-13-27-23)25-28-24(29-34-25)21-6-2-12-26-17-21/h2,6,8-9,12,16-17,19H,1,3-5,7,10-11,13-15H2,(H,27,31)/t19-/m0/s1

InChI Key

MYODTSVLGIBMAS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30461212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.820

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-3.26

Polar Surface Area

98.514

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

S747-0860 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 S747-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S747-0860?
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What is the minimum amount of S747-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S747-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S747-0860
  • 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 S747-0860 available by request