D522-0329 Screening compound: 4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

D522-0329 Screening compound: 4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
D522-0329 Screening compound: 4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D522-0329
4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-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

D522-0329

Molecular Formula

C13H11ClF3N3OS (C13 H11 ClF3 N3 OS)

Compound Name

4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

IUPAC name

4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

SMILES

Cn1nc(C(Nc2cc(SC)ccc2)=O)c(Cl)c1C(F)(F)F

InChI

InChI=1S/C13H11ClF3N3OS/c1-20-11(13(15,16)17)9(14)10(19-20)12(21)18-7-4-3-5-8(6-7)22-2/h3-6H,1-2H3,(H,18,21)

InChI Key

XBFBGFYHAQDDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.396

Water Solubility, LogSw

-4.24

Polar Surface Area

37.392

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D522-0329 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D522-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D522-0329?
Check Price and Availability of D522-0329, 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 D522-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D522-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D522-0329
  • 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 D522-0329 available by request