G394-1613 Screening compound: 4-(4-ethylpiperazin-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

G394-1613 Screening compound: 4-(4-ethylpiperazin-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
G394-1613 Screening compound: 4-(4-ethylpiperazin-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-1613
4-(4-ethylpiperazin-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[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

G394-1613

Molecular Formula

C25H30N6O2S (C25 H30 N6 O2 S)

Compound Name

4-(4-ethylpiperazin-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

4-(4-ethylpiperazin-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methylthieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC1)CCN1c1c(c(C)c(C(NCCc2c[nH]c(cc3)c2cc3OC)=O)s2)c2ncn1

InChI

InChI=1S/C25H30N6O2S/c1-4-30-9-11-31(12-10-30)23-21-16(2)22(34-25(21)29-15-28-23)24(32)26-8-7-17-14-27-20-6-5-18(33-3)13-19(17)20/h5-6,13-15,27H,4,7-12H2,1-3H3,(H,26,32)

InChI Key

QCGOTHPZMNVQKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.265

Water Solubility, LogSw

-4.15

Polar Surface Area

69.745

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G394-1613 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • 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 G394-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-1613?
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What is the minimum amount of G394-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-1613
  • 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 G394-1613 available by request