E008-0099 Screening compound: N-(2-ethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

E008-0099 Screening compound: N-(2-ethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
E008-0099 Screening compound: N-(2-ethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-0099
N-(2-ethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)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

E008-0099

Molecular Formula

C24H24N4OS (C24 H24 N4 OS)

Compound Name

N-(2-ethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

IUPAC name

N-(2-ethylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

SMILES

CCc(cccc1)c1NC(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C24H24N4OS/c1-2-19-10-6-7-13-22(19)26-23(29)18-30-17-20-16-25-28(21-11-4-3-5-12-21)24(20)27-14-8-9-15-27/h3-16H,2,17-18H2,1H3,(H,26,29)

InChI Key

RMOHSKMIMGDHGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.547

Distribution Coefficient, logD

5.546

Water Solubility, LogSw

-5.28

Polar Surface Area

39.275

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E008-0099 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E008-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-0099?
Check Price and Availability of E008-0099, 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 E008-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-0099
  • 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 E008-0099 available by request