E008-1165 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

E008-1165 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one
E008-1165 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-1165
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-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

E008-1165

Molecular Formula

C27H28FN5OS (C27 H28 FN5 OS)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

SMILES

O=C(CCSCc1c(-n2cccc2)n(-c2ccccc2)nc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C27H28FN5OS/c28-24-10-4-5-11-25(24)30-15-17-31(18-16-30)26(34)12-19-35-21-22-20-29-33(23-8-2-1-3-9-23)27(22)32-13-6-7-14-32/h1-11,13-14,20H,12,15-19,21H2

InChI Key

REKSIDSJLIRIQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.986

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-4.65

Polar Surface Area

36.175

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E008-1165 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E008-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-1165?
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What is the minimum amount of E008-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-1165
  • 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 E008-1165 available by request