G013-0443 Screening compound: ethyl 4-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate

G013-0443 Screening compound: ethyl 4-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate
G013-0443 Screening compound: ethyl 4-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0443
ethyl 4-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate

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

G013-0443

Molecular Formula

C22H24FN5O3 (C22 H24 FN5 O3)

Compound Name

ethyl 4-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(-n2cccc2)n(-c2cccc(F)c2)nc1)=O)=O

InChI

InChI=1S/C22H24FN5O3/c1-2-31-22(30)27-12-8-17(9-13-27)25-20(29)19-15-24-28(18-7-5-6-16(23)14-18)21(19)26-10-3-4-11-26/h3-7,10-11,14-15,17H,2,8-9,12-13H2,1H3,(H,25,29)

InChI Key

FMXPCKNDYLAYJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-3.86

Polar Surface Area

64.014

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G013-0443 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G013-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0443?
Check Price and Availability of G013-0443, 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 G013-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0443
  • 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 G013-0443 available by request