S733-1778 Screening compound: N~8~-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-N~8~-[2-(2-pyridyl)ethyl]-1,5-diazacycloundecane-8-carboxamide

S733-1778 Screening compound: N~8~-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-N~8~-[2-(2-pyridyl)ethyl]-1,5-diazacycloundecane-8-carboxamide
S733-1778 Screening compound: N~8~-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-N~8~-[2-(2-pyridyl)ethyl]-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1778
N~8~-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-N~8~-[2-(2-pyridyl)ethyl]-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

S733-1778

Molecular Formula

C22H32N6O4S (C22 H32 N6 O4 S)

Compound Name

N~8~-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-N~8~-[2-(2-pyridyl)ethyl]-1,5-diazacycloundecane-8-carboxamide

IUPAC name

N-methyl-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-oxo-N-[2-(pyridin-2-yl)ethyl]-15-diazacycloundecane-8-carboxamide

SMILES

CN(CCc1ncccc1)C(C(CCCN(CC1)S(c2cn(C)cn2)(=O)=O)CCNC1=O)=O

InChI

InChI=1S/C22H32N6O4S/c1-26-16-21(25-17-26)33(31,32)28-13-5-6-18(8-12-24-20(29)10-15-28)22(30)27(2)14-9-19-7-3-4-11-23-19/h3-4,7,11,16-18H,5-6,8-10,12-15H2,1-2H3,(H,24,29)/t18-/m0/s1

InChI Key

CWZVUVFBGBQAGQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30461301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.850

Distribution Coefficient, logD

-0.856

Water Solubility, LogSw

-2.06

Polar Surface Area

95.387

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S733-1778 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S733-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1778?
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What is the minimum amount of S733-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1778
  • 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 S733-1778 available by request