C626-0218 Screening compound: N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-sulfonamide

C626-0218 Screening compound: N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-sulfonamide
C626-0218 Screening compound: N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C626-0218
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-sulfonamide

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

C626-0218

Molecular Formula

C26H39N5O3S (C26 H39 N5 O3 S)

Compound Name

N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-sulfonamide

IUPAC name

N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-135-trimethyl-N-[4-(propan-2-yl)phenyl]-1H-pyrazole-4-sulfonamide

SMILES

CC(C)c(cc1)ccc1N(CC(N(CC1)CCN1C1CCCC1)=O)S(c1c(C)n(C)nc1C)(=O)=O

InChI

InChI=1S/C26H39N5O3S/c1-19(2)22-10-12-24(13-11-22)31(35(33,34)26-20(3)27-28(5)21(26)4)18-25(32)30-16-14-29(15-17-30)23-8-6-7-9-23/h10-13,19,23H,6-9,14-18H2,1-5H3

InChI Key

DSAPXICLZWEUNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-2.97

Polar Surface Area

66.484

Acid Dissociation Constant (pKa)

21.05

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

C626-0218 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C626-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C626-0218?
Check Price and Availability of C626-0218, 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 C626-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C626-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C626-0218
  • 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 C626-0218 available by request