G013-0676 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

G013-0676 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
G013-0676 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G013-0676
N-{2-[butyl(ethyl)amino]ethyl}-1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-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

G013-0676

Molecular Formula

C22H28FN5O (C22 H28 FN5 O)

Compound Name

N-{2-[butyl(ethyl)amino]ethyl}-1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-{2-[butyl(ethyl)amino]ethyl}-1-(3-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

CCCCN(CC)CCNC(c1c(-n2cccc2)n(-c2cccc(F)c2)nc1)=O

InChI

InChI=1S/C22H28FN5O/c1-3-5-12-26(4-2)15-11-24-21(29)20-17-25-28(19-10-8-9-18(23)16-19)22(20)27-13-6-7-14-27/h6-10,13-14,16-17H,3-5,11-12,15H2,1-2H3,(H,24,29)

InChI Key

GCJCRRIHRUCTTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14976686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-4.12

Polar Surface Area

45.286

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G013-0676 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
  • Cancer
  • Endocrine
Targets:
  • Nuclear receptors
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G013-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G013-0676?
Check Price and Availability of G013-0676, 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 G013-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G013-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G013-0676
  • 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 G013-0676 available by request