G394-1864 Screening compound: N-(4-chloro-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

G394-1864 Screening compound: N-(4-chloro-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
G394-1864 Screening compound: N-(4-chloro-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-1864
N-(4-chloro-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-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

G394-1864

Molecular Formula

C21H23ClFN5OS (C21 H23 ClFN5 OS)

Compound Name

N-(4-chloro-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCCN(CC1)CCN1c1ncnc2c1c(C)c(C(Nc(ccc(Cl)c1)c1F)=O)s2

InChI

InChI=1S/C21H23ClFN5OS/c1-3-6-27-7-9-28(10-8-27)19-17-13(2)18(30-21(17)25-12-24-19)20(29)26-16-5-4-14(22)11-15(16)23/h4-5,11-12H,3,6-10H2,1-2H3,(H,26,29)

InChI Key

YEBBQLBQMFTTOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-5.09

Polar Surface Area

50.722

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G394-1864 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with G394-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-1864?
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What is the minimum amount of G394-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-1864
  • 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 G394-1864 available by request