C517-2562 Screening compound: 2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino}-N~1~-(4-fluorobenzyl)acetamide

C517-2562 Screening compound: 2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino}-N~1~-(4-fluorobenzyl)acetamide
C517-2562 Screening compound: 2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino}-N~1~-(4-fluorobenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-2562
2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino}-N~1~-(4-fluorobenzyl)acetamide

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

C517-2562

Molecular Formula

C21H23FN4O4S (C21 H23 FN4 O4 S)

Compound Name

2-{[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino}-N~1~-(4-fluorobenzyl)acetamide

IUPAC name

n/a

SMILES

Cc([nH]nc1C)c1S(N(CC(NCc(cc1)ccc1F)=O)c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C21H23FN4O4S/c1-14-21(15(2)25-24-14)31(28,29)26(18-8-10-19(30-3)11-9-18)13-20(27)23-12-16-4-6-17(22)7-5-16/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,25)

InChI Key

HZRFTFNMXPURHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.85

Polar Surface Area

87.723

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C517-2562 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C517-2562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-2562?
Check Price and Availability of C517-2562, 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 C517-2562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-2562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-2562
  • 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 C517-2562 available by request