2418-0562 Screening compound: 5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid

2418-0562 Screening compound: 5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid
2418-0562 Screening compound: 5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2418-0562
5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid

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

2418-0562

Molecular Formula

C10H8ClN3O5S (C10 H8 ClN3 O5 S)

Compound Name

5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid

IUPAC name

5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid

SMILES

Cc(c(S(O)(=O)=O)c1Cl)nn1-c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C10H8ClN3O5S/c1-6-9(20(17,18)19)10(11)13(12-6)7-2-4-8(5-3-7)14(15)16/h2-5H,1H3,(H,17,18,19)

InChI Key

UWTXLBHZBXHZCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00587690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.605

Distribution Coefficient, logD

-14.032

Water Solubility, LogSw

-2.03

Polar Surface Area

90.833

Acid Dissociation Constant (pKa)

-3.39

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2418-0562 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2418-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2418-0562?
Check Price and Availability of 2418-0562, 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 2418-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2418-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2418-0562
  • 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 2418-0562 available by request