C625-0201 Screening compound: 4-chloro-3-methyl-N~5~-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-isoxazolecarboxamide

C625-0201 Screening compound: 4-chloro-3-methyl-N~5~-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-isoxazolecarboxamide
C625-0201 Screening compound: 4-chloro-3-methyl-N~5~-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C625-0201
4-chloro-3-methyl-N~5~-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-isoxazolecarboxamide

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

C625-0201

Molecular Formula

C16H15ClN4O2 (C16 H15 ClN4 O2)

Compound Name

4-chloro-3-methyl-N~5~-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-isoxazolecarboxamide

IUPAC name

n/a

SMILES

Cc1noc(C(Nc2cn(Cc3c(C)cccc3)nc2)=O)c1Cl

InChI

InChI=1S/C16H15ClN4O2/c1-10-5-3-4-6-12(10)8-21-9-13(7-18-21)19-16(22)15-14(17)11(2)20-23-15/h3-7,9H,8H2,1-2H3,(H,19,22)

InChI Key

NTPDGROODMTBPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.85

Polar Surface Area

60.452

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C625-0201 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C625-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C625-0201?
Check Price and Availability of C625-0201, 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 C625-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C625-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C625-0201
  • 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 C625-0201 available by request