S451-0373 Screening compound: N-(5-fluoro-2-methylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

S451-0373 Screening compound: N-(5-fluoro-2-methylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
S451-0373 Screening compound: N-(5-fluoro-2-methylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S451-0373
N-(5-fluoro-2-methylphenyl)-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

S451-0373

Molecular Formula

C15H13FN4O (C15 H13 FN4 O)

Compound Name

N-(5-fluoro-2-methylphenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

IUPAC name

n/a

SMILES

Cc(ccc(F)c1)c1NC(c1cc(-c2ccc[nH]2)n[nH]1)=O

InChI

InChI=1S/C15H13FN4O/c1-9-4-5-10(16)7-12(9)18-15(21)14-8-13(19-20-14)11-3-2-6-17-11/h2-8,17H,1H3,(H,18,21)(H,19,20)

InChI Key

NGXBUAPJPWKHQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29007645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.29

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

2.970

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.17

Polar Surface Area

55.188

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

S451-0373 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with S451-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S451-0373?
Check Price and Availability of S451-0373, 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 S451-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S451-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S451-0373
  • 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 S451-0373 available by request