S734-1042 Screening compound: 3-(2-ethoxyphenyl)-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea

S734-1042 Screening compound: 3-(2-ethoxyphenyl)-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea
S734-1042 Screening compound: 3-(2-ethoxyphenyl)-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S734-1042
3-(2-ethoxyphenyl)-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea

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

S734-1042

Molecular Formula

C25H32N4O4 (C25 H32 N4 O4)

Compound Name

3-(2-ethoxyphenyl)-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea

IUPAC name

3-(2-ethoxyphenyl)-1-[2-oxo-2-(4-oxo-2-phenyl-15-diazecan-1-yl)ethyl]urea

SMILES

CCOc(cccc1)c1NC(NCC(N(CCCCCNC(C1)=O)C1c1ccccc1)=O)=O

InChI

InChI=1S/C25H32N4O4/c1-2-33-22-14-8-7-13-20(22)28-25(32)27-18-24(31)29-16-10-4-9-15-26-23(30)17-21(29)19-11-5-3-6-12-19/h3,5-8,11-14,21H,2,4,9-10,15-18H2,1H3,(H,26,30)(H2,27,28,32)/t21-/m0/s1

InChI Key

MZVDIJNSMJZGCQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30462033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.383

Water Solubility, LogSw

-2.86

Polar Surface Area

81.545

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S734-1042 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 S734-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S734-1042?
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What is the minimum amount of S734-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S734-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S734-1042
  • 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 S734-1042 available by request