S733-1635 Screening compound: 1-(benzenesulfonyl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

S733-1635 Screening compound: 1-(benzenesulfonyl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
S733-1635 Screening compound: 1-(benzenesulfonyl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-1635
1-(benzenesulfonyl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-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

S733-1635

Molecular Formula

C25H31N5O4S (C25 H31 N5 O4 S)

Compound Name

1-(benzenesulfonyl)-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

IUPAC name

1-(benzenesulfonyl)-N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]-4-oxo-15-diazacycloundecane-8-carboxamide

SMILES

Cn1c(cccc2)c2nc1CNC(C(CCCN(CC1)S(c2ccccc2)(=O)=O)CCNC1=O)=O

InChI

InChI=1S/C25H31N5O4S/c1-29-22-12-6-5-11-21(22)28-23(29)18-27-25(32)19-8-7-16-30(17-14-24(31)26-15-13-19)35(33,34)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3,(H,26,31)(H,27,32)/t19-/m0/s1

InChI Key

LDQXPDJZWRGOFV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30460844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.019

Distribution Coefficient, logD

1.017

Water Solubility, LogSw

-2.32

Polar Surface Area

93.704

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S733-1635 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 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

References: we are preparing a list of scientific research reports with S733-1635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-1635?
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What is the minimum amount of S733-1635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-1635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-1635
  • 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 S733-1635 available by request