S731-1503 Screening compound: 1-(benzenesulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

S731-1503 Screening compound: 1-(benzenesulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one
S731-1503 Screening compound: 1-(benzenesulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S731-1503
1-(benzenesulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-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

S731-1503

Molecular Formula

C28H37N5O4S (C28 H37 N5 O4 S)

Compound Name

1-(benzenesulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR11R12aS)-1-(benzenesulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]15-diazacycloundecan-9-one

SMILES

O=C([C@H](C[C@H]1C(NCCCCCC2)=O)C[C@@H]1N2S(c1ccccc1)(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C28H37N5O4S/c34-27-24-20-22(28(35)32-18-16-31(17-19-32)26-12-6-8-13-29-26)21-25(24)33(15-9-2-1-7-14-30-27)38(36,37)23-10-4-3-5-11-23/h3-6,8,10-13,22,24-25H,1-2,7,9,14-21H2,(H,30,34)/t22-,24+,25-/m0/s1

InChI Key

OHPNHHZOTNALFK-CAOCKLPOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.31

Polar Surface Area

86.134

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.57

S731-1503 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 S731-1503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S731-1503?
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What is the minimum amount of S731-1503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S731-1503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S731-1503
  • 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 S731-1503 available by request