8003-9629 Screening compound: 2-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide

8003-9629 Screening compound: 2-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide
8003-9629 Screening compound: 2-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9629
2-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)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

8003-9629

Molecular Formula

C12H12ClN3O (C12 H12 ClN3 O)

Compound Name

2-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide

IUPAC name

2-chloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide

SMILES

Cc(cc1NC(CCl)=O)nn1-c1ccccc1

InChI

InChI=1S/C12H12ClN3O/c1-9-7-11(14-12(17)8-13)16(15-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)

InChI Key

WITNPEBNOYWOGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.695

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-2.28

Polar Surface Area

37.629

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8003-9629 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-9629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9629?
Check Price and Availability of 8003-9629, 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 8003-9629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9629
  • 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 8003-9629 available by request