E008-0103 Screening compound: N-(4-fluorophenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide

E008-0103 Screening compound: N-(4-fluorophenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
E008-0103 Screening compound: N-(4-fluorophenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-0103
N-(4-fluorophenyl)-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

E008-0103

Molecular Formula

C22H19FN4OS (C22 H19 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)Nc(cc1)ccc1F

InChI

InChI=1S/C22H19FN4OS/c23-18-8-10-19(11-9-18)25-21(28)16-29-15-17-14-24-27(20-6-2-1-3-7-20)22(17)26-12-4-5-13-26/h1-14H,15-16H2,(H,25,28)

InChI Key

WEKDKKNHYWOTSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-4.86

Polar Surface Area

39.973

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E008-0103 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 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 E008-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-0103?
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What is the minimum amount of E008-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-0103
  • 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 E008-0103 available by request