G394-1038 Screening compound: N-(4-bromo-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

G394-1038 Screening compound: N-(4-bromo-2-fluorophenyl)-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
G394-1038 Screening compound: N-(4-bromo-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 G394-1038
N-(4-bromo-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

G394-1038

Molecular Formula

C21H23BrFN5OS (C21 H23 BrFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H23BrFN5OS/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

AEDKALLJAYOCNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.42

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

5.082

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.12

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

G394-1038 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 G394-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-1038?
Check Price and Availability of G394-1038, 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 G394-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-1038
  • 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 G394-1038 available by request