S734-1047 Screening compound: 3-[(4-fluorophenyl)methyl]-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea

S734-1047 Screening compound: 3-[(4-fluorophenyl)methyl]-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea
S734-1047 Screening compound: 3-[(4-fluorophenyl)methyl]-1-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S734-1047
3-[(4-fluorophenyl)methyl]-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

S734-1047

Molecular Formula

C24H29FN4O3 (C24 H29 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CNC(NCc(cc1)ccc1F)=O)N(CCCCCNC(C1)=O)C1c1ccccc1

InChI

InChI=1S/C24H29FN4O3/c25-20-11-9-18(10-12-20)16-27-24(32)28-17-23(31)29-14-6-2-5-13-26-22(30)15-21(29)19-7-3-1-4-8-19/h1,3-4,7-12,21H,2,5-6,13-17H2,(H,26,30)(H2,27,28,32)/t21-/m0/s1

InChI Key

BTRVUXLNWTYHAA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30462037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.485

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-1.86

Polar Surface Area

76.355

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S734-1047 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 S734-1047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S734-1047?
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What is the minimum amount of S734-1047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S734-1047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S734-1047
  • 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 S734-1047 available by request