S733-0559 Screening compound: 9-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one

S733-0559 Screening compound: 9-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one
S733-0559 Screening compound: 9-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-0559
9-[4-(3-methylphenyl)piperazine-1-carbonyl]-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

S733-0559

Molecular Formula

C27H37N5O2 (C27 H37 N5 O2)

Compound Name

9-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-1,5-diazacycloundecan-2-one

IUPAC name

9-[4-(3-methylphenyl)piperazine-1-carbonyl]-5-[(pyridin-3-yl)methyl]-15-diazacycloundecan-2-one

SMILES

Cc1cccc(N(CC2)CCN2C(C(CCCN(Cc2cnccc2)CC2)CCNC2=O)=O)c1

InChI

InChI=1S/C27H37N5O2/c1-22-5-2-8-25(19-22)31-15-17-32(18-16-31)27(34)24-7-4-13-30(14-10-26(33)29-12-9-24)21-23-6-3-11-28-20-23/h2-3,5-6,8,11,19-20,24H,4,7,9-10,12-18,21H2,1H3,(H,29,33)/t24-/m0/s1

InChI Key

KCVISQTWZLDRKC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD30461043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.323

Distribution Coefficient, logD

1.166

Water Solubility, LogSw

-1.46

Polar Surface Area

58.752

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.85

S733-0559 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S733-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-0559?
Check Price and Availability of S733-0559, 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 S733-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-0559
  • 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 S733-0559 available by request