S733-1876 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

S733-1876 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
S733-1876 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1876
N-{3-[cyclohexyl(methyl)amino]propyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

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

S733-1876

Molecular Formula

C24H42N6O4S (C24 H42 N6 O4 S)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-15-diazacycloundecane-8-carboxamide

SMILES

CN(CCCNC(C(CCCN(CC1)S(c2cn(C)cn2)(=O)=O)CCNC1=O)=O)C1CCCCC1

InChI

InChI=1S/C24H42N6O4S/c1-28-18-23(27-19-28)35(33,34)30-16-6-8-20(11-14-25-22(31)12-17-30)24(32)26-13-7-15-29(2)21-9-4-3-5-10-21/h18-21H,3-17H2,1-2H3,(H,25,31)(H,26,32)/t20-/m0/s1

InChI Key

IVZHIXAFLYYZPX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30461712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.250

Distribution Coefficient, logD

-2.833

Water Solubility, LogSw

-1.76

Polar Surface Area

97.008

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

79.17

S733-1876 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 S733-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1876?
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What is the minimum amount of S733-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1876
  • 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 S733-1876 available by request