S723-1415 Screening compound: 4-({4-[(cyclopropylmethoxy)methyl]phenyl}methyl)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}piperidine

S723-1415 Screening compound: 4-({4-[(cyclopropylmethoxy)methyl]phenyl}methyl)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}piperidine
S723-1415 Screening compound: 4-({4-[(cyclopropylmethoxy)methyl]phenyl}methyl)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-1415
4-({4-[(cyclopropylmethoxy)methyl]phenyl}methyl)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}piperidine

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

S723-1415

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

4-({4-[(cyclopropylmethoxy)methyl]phenyl}methyl)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}piperidine

IUPAC name

4-({4-[(cyclopropylmethoxy)methyl]phenyl}methyl)-1-{5-[(1H-imidazol-1-yl)methyl]furan-2-carbonyl}piperidine

SMILES

O=C(c1ccc(Cn2cncc2)o1)N1CCC(Cc2ccc(COCC3CC3)cc2)CC1

InChI

InChI=1S/C26H31N3O3/c30-26(25-8-7-24(32-25)16-28-14-11-27-19-28)29-12-9-21(10-13-29)15-20-1-3-22(4-2-20)17-31-18-23-5-6-23/h1-4,7-8,11,14,19,21,23H,5-6,9-10,12-13,15-18H2

InChI Key

CQDATMJQOCODGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.122

Water Solubility, LogSw

-4.23

Polar Surface Area

45.693

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

S723-1415 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S723-1415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-1415?
Check Price and Availability of S723-1415, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S723-1415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-1415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-1415
  • 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 S723-1415 available by request