E009-0038 Screening compound: 1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide

E009-0038 Screening compound: 1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide
E009-0038 Screening compound: 1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E009-0038
1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide

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

E009-0038

Molecular Formula

C27H26F3N5O (C27 H26 F3 N5 O)

Compound Name

1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide

IUPAC name

1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

SMILES

O=C(C1CCN(Cc2c(-n3cccc3)n(-c3ccccc3)nc2)CC1)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H26F3N5O/c28-27(29,30)22-7-6-8-23(17-22)32-25(36)20-11-15-33(16-12-20)19-21-18-31-35(24-9-2-1-3-10-24)26(21)34-13-4-5-14-34/h1-10,13-14,17-18,20H,11-12,15-16,19H2,(H,32,36)

InChI Key

MRRKWXGXBWFHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-5.49

Polar Surface Area

43.919

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

E009-0038 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E009-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E009-0038?
Check Price and Availability of E009-0038, 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 E009-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E009-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E009-0038
  • 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 E009-0038 available by request