S451-0306 Screening compound: N-(4-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

S451-0306 Screening compound: N-(4-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
S451-0306 Screening compound: N-(4-ethylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S451-0306
N-(4-ethylphenyl)-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

S451-0306

Molecular Formula

C16H16N4O (C16 H16 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(c1cc(-c2ccc[nH]2)n[nH]1)=O

InChI

InChI=1S/C16H16N4O/c1-2-11-5-7-12(8-6-11)18-16(21)15-10-14(19-20-15)13-4-3-9-17-13/h3-10,17H,2H2,1H3,(H,18,21)(H,19,20)

InChI Key

IPFGQVRBZIGPJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-3.85

Polar Surface Area

55.886

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

S451-0306 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S451-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S451-0306?
Check Price and Availability of S451-0306, 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 S451-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S451-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S451-0306
  • 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 S451-0306 available by request