S733-2145 Screening compound: 1-benzoyl-N~8~-[(5-methyl-2-furyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

S733-2145 Screening compound: 1-benzoyl-N~8~-[(5-methyl-2-furyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
S733-2145 Screening compound: 1-benzoyl-N~8~-[(5-methyl-2-furyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S733-2145
1-benzoyl-N~8~-[(5-methyl-2-furyl)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

S733-2145

Molecular Formula

C23H29N3O4 (C23 H29 N3 O4)

Compound Name

1-benzoyl-N~8~-[(5-methyl-2-furyl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide

IUPAC name

1-benzoyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-15-diazacycloundecane-8-carboxamide

SMILES

Cc1ccc(CNC(C(CCCN(CC2)C(c3ccccc3)=O)CCNC2=O)=O)o1

InChI

InChI=1S/C23H29N3O4/c1-17-9-10-20(30-17)16-25-22(28)18-8-5-14-26(15-12-21(27)24-13-11-18)23(29)19-6-3-2-4-7-19/h2-4,6-7,9-10,18H,5,8,11-16H2,1H3,(H,24,27)(H,25,28)

InChI Key

WTUFLPCFUZGZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.935

Distribution Coefficient, logD

0.935

Water Solubility, LogSw

-1.74

Polar Surface Area

73.917

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

S733-2145 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 S733-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S733-2145?
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What is the minimum amount of S733-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S733-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S733-2145
  • 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 S733-2145 available by request