S451-0720 Screening compound: N-(4-methylcyclohexyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

S451-0720 Screening compound: N-(4-methylcyclohexyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
S451-0720 Screening compound: N-(4-methylcyclohexyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S451-0720
N-(4-methylcyclohexyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-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

S451-0720

Molecular Formula

C15H20N4O (C15 H20 N4 O)

Compound Name

N-(4-methylcyclohexyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

IUPAC name

N-(4-methylcyclohexyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

SMILES

CC(CC1)CCC1NC(c1cc(-c2ccc[nH]2)n[nH]1)=O

InChI

InChI=1S/C15H20N4O/c1-10-4-6-11(7-5-10)17-15(20)14-9-13(18-19-14)12-3-2-8-16-12/h2-3,8-11,16H,4-7H2,1H3,(H,17,20)(H,18,19)

InChI Key

YTEPYVYTQGPPRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.89

Polar Surface Area

56.933

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

S451-0720 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S451-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S451-0720?
Check Price and Availability of S451-0720, 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 S451-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S451-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S451-0720
  • 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 S451-0720 available by request