C436-2637 Screening compound: 2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]-N-[3-(trifluoromethyl)phenyl]acetamide

C436-2637 Screening compound: 2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]-N-[3-(trifluoromethyl)phenyl]acetamide
C436-2637 Screening compound: 2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-2637
2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]-N-[3-(trifluoromethyl)phenyl]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

C436-2637

Molecular Formula

C21H21F3N4O3S (C21 H21 F3 N4 O3 S)

Compound Name

2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[N-(4-methylphenyl)35-dimethyl-1H-pyrazole-4-sulfonamido]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc([nH]nc1C)c1S(N(CC(Nc1cc(C(F)(F)F)ccc1)=O)c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C21H21F3N4O3S/c1-13-7-9-18(10-8-13)28(32(30,31)20-14(2)26-27-15(20)3)12-19(29)25-17-6-4-5-16(11-17)21(22,23)24/h4-11H,12H2,1-3H3,(H,25,29)(H,26,27)

InChI Key

CDMZDIDCORVMCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.239

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.34

Polar Surface Area

78.857

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C436-2637 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C436-2637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-2637?
Check Price and Availability of C436-2637, 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 C436-2637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-2637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-2637
  • 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 C436-2637 available by request