E751-4442 Screening compound: 1-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

E751-4442 Screening compound: 1-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
E751-4442 Screening compound: 1-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-4442
1-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

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

E751-4442

Molecular Formula

C20H20FN5O2 (C20 H20 FN5 O2)

Compound Name

1-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

IUPAC name

1-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(c1c(-n2cccc2)n(-c(cc2)ccc2F)nc1)=O)=O

InChI

InChI=1S/C20H20FN5O2/c21-15-3-5-16(6-4-15)26-19(24-9-1-2-10-24)17(13-23-26)20(28)25-11-7-14(8-12-25)18(22)27/h1-6,9-10,13-14H,7-8,11-12H2,(H2,22,27)

InChI Key

LGBNZCYIWANGSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.131

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.57

Polar Surface Area

67.802

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E751-4442 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 E751-4442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-4442?
Check Price and Availability of E751-4442, 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 E751-4442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-4442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-4442
  • 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 E751-4442 available by request