C799-0094 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

C799-0094 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
C799-0094 Screening compound: 2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0094
2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

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

C799-0094

Molecular Formula

C26H27N5OS (C26 H27 N5 OS)

Compound Name

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

IUPAC name

2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one

SMILES

O=C(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C26H27N5OS/c32-25(29-17-15-28(16-18-29)23-9-3-1-4-10-23)21-33-20-22-19-27-31(24-11-5-2-6-12-24)26(22)30-13-7-8-14-30/h1-14,19H,15-18,20-21H2

InChI Key

YZFHERZROSBKDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.66

Polar Surface Area

36.476

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C799-0094 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C799-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0094?
Check Price and Availability of C799-0094, 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 C799-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0094
  • 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 C799-0094 available by request