S731-1521 Screening compound: 1-(2,3-dihydro-1H-indene-5-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

S731-1521 Screening compound: 1-(2,3-dihydro-1H-indene-5-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one
S731-1521 Screening compound: 1-(2,3-dihydro-1H-indene-5-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S731-1521
1-(2,3-dihydro-1H-indene-5-sulfonyl)-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

S731-1521

Molecular Formula

C31H41N5O4S (C31 H41 N5 O4 S)

Compound Name

1-(2,3-dihydro-1H-indene-5-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR11R12aS)-1-(23-dihydro-1H-indene-5-sulfonyl)-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(c1cc(CCC2)c2cc1)(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C31H41N5O4S/c37-30-27-21-25(31(38)35-18-16-34(17-19-35)29-10-3-5-13-32-29)22-28(27)36(15-6-2-1-4-14-33-30)41(39,40)26-12-11-23-8-7-9-24(23)20-26/h3,5,10-13,20,25,27-28H,1-2,4,6-9,14-19,21-22H2,(H,33,37)/t25-,27+,28-/m0/s1

InChI Key

ZYIUXPZFXUTOBI-ITHJLQSDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.76

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

4.040

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.13

Polar Surface Area

86.420

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.06

S731-1521 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S731-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S731-1521?
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What is the minimum amount of S731-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S731-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S731-1521
  • 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 S731-1521 available by request