S733-1743 Screening compound: 9-(4-benzylpiperazine-1-carbonyl)-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one

S733-1743 Screening compound: 9-(4-benzylpiperazine-1-carbonyl)-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one
S733-1743 Screening compound: 9-(4-benzylpiperazine-1-carbonyl)-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1743
9-(4-benzylpiperazine-1-carbonyl)-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-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

S733-1743

Molecular Formula

C25H36N6O4S (C25 H36 N6 O4 S)

Compound Name

9-(4-benzylpiperazine-1-carbonyl)-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one

IUPAC name

9-(4-benzylpiperazine-1-carbonyl)-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-15-diazacycloundecan-2-one

SMILES

Cn1cnc(S(N(CCCC(CCN2)C(N3CCN(Cc4ccccc4)CC3)=O)CCC2=O)(=O)=O)c1

InChI

InChI=1S/C25H36N6O4S/c1-28-19-24(27-20-28)36(34,35)31-12-5-8-22(9-11-26-23(32)10-13-31)25(33)30-16-14-29(15-17-30)18-21-6-3-2-4-7-21/h2-4,6-7,19-20,22H,5,8-18H2,1H3,(H,26,32)/t22-/m0/s1

InChI Key

UVCDSVQPGLCDMZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD30461719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.311

Distribution Coefficient, logD

-0.362

Water Solubility, LogSw

-2.20

Polar Surface Area

89.904

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

S733-1743 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S733-1743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1743?
Check Price and Availability of S733-1743, 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 S733-1743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1743
  • 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 S733-1743 available by request