C201-0086 Screening compound: N-[4-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

C201-0086 Screening compound: N-[4-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide
C201-0086 Screening compound: N-[4-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0086
N-[4-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

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

C201-0086

Molecular Formula

C24H27N3O4S2 (C24 H27 N3 O4 S2)

Compound Name

N-[4-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

IUPAC name

N-[4-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

SMILES

CCC(N(C(CC)=O)c(n(Cc1cc(C)ccc1)nc1SC)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C24H27N3O4S2/c1-5-20(28)27(21(29)6-2)24-22(33(30,31)19-13-8-7-9-14-19)23(32-4)25-26(24)16-18-12-10-11-17(3)15-18/h7-15H,5-6,16H2,1-4H3

InChI Key

XAORXQMDXSXWPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.12

Polar Surface Area

69.936

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C201-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0086?
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What is the minimum amount of C201-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0086
  • 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 C201-0086 available by request