S517-1264 Screening compound: 4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-2-(3,4-dimethylphenyl)quinoline

S517-1264 Screening compound: 4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-2-(3,4-dimethylphenyl)quinoline
S517-1264 Screening compound: 4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-2-(3,4-dimethylphenyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1264
4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-2-(3,4-dimethylphenyl)quinoline

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

S517-1264

Molecular Formula

C30H33N5O (C30 H33 N5 O)

Compound Name

4-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-2-(3,4-dimethylphenyl)quinoline

IUPAC name

4-(4-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}piperidine-1-carbonyl)-2-(34-dimethylphenyl)quinoline

SMILES

Cc(cc1)c(C)cc1-c1nc2ccccc2c(C(N2CCC(Cc3nncn3CC3CC3)CC2)=O)c1

InChI

InChI=1S/C30H33N5O/c1-20-7-10-24(15-21(20)2)28-17-26(25-5-3-4-6-27(25)32-28)30(36)34-13-11-22(12-14-34)16-29-33-31-19-35(29)18-23-8-9-23/h3-7,10,15,17,19,22-23H,8-9,11-14,16,18H2,1-2H3

InChI Key

ZQKWCJHDUKQJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-5.86

Polar Surface Area

50.530

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S517-1264 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S517-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1264?
Check Price and Availability of S517-1264, 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 S517-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1264
  • 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 S517-1264 available by request