C201-0558 Screening compound: N-[4-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

C201-0558 Screening compound: N-[4-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide
C201-0558 Screening compound: N-[4-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0558
N-[4-(benzenesulfonyl)-1-[(2-chlorophenyl)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

C201-0558

Molecular Formula

C23H24ClN3O4S2 (C23 H24 ClN3 O4 S2)

Compound Name

N-[4-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

IUPAC name

N-[4-(benzenesulfonyl)-1-[(2-chlorophenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide

SMILES

CCC(N(C(CC)=O)c(n(Cc(cccc1)c1Cl)nc1SC)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C23H24ClN3O4S2/c1-4-19(28)27(20(29)5-2)23-21(33(30,31)17-12-7-6-8-13-17)22(32-3)25-26(23)15-16-11-9-10-14-18(16)24/h6-14H,4-5,15H2,1-3H3

InChI Key

JLMLNISSBWHPOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.05

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

4.100

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.23

Polar Surface Area

69.936

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

-4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C201-0558 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0558?
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What is the minimum amount of C201-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0558
  • 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 C201-0558 available by request