G664-0512 Screening compound: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[2,3-b]pyridine-2-carboxamide

G664-0512 Screening compound: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[2,3-b]pyridine-2-carboxamide
G664-0512 Screening compound: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G664-0512
3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[2,3-b]pyridine-2-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

G664-0512

Molecular Formula

C27H30FN5OS (C27 H30 FN5 OS)

Compound Name

3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-(25-dimethyl-1H-pyrrol-1-yl)-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}thieno[23-b]pyridine-2-carboxamide

SMILES

Cc1ccc(C)n1-c1c(C(NCCCN(CC2)CCN2c(cc2)ccc2F)=O)sc2ncccc12

InChI

InChI=1S/C27H30FN5OS/c1-19-6-7-20(2)33(19)24-23-5-3-12-30-27(23)35-25(24)26(34)29-13-4-14-31-15-17-32(18-16-31)22-10-8-21(28)9-11-22/h3,5-12H,4,13-18H2,1-2H3,(H,29,34)

InChI Key

BBGONTZCRHBARF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15027381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

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

4.019

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.89

Polar Surface Area

44.176

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G664-0512 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G664-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G664-0512?
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What is the minimum amount of G664-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G664-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G664-0512
  • 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 G664-0512 available by request