G394-0421 Screening compound: 4-(4-ETHYLPIPERAZIN-1-YL)-5-METHYL-N-[(OXOLAN-2-YL)METHYL]THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE

G394-0421 Screening compound: 4-(4-ETHYLPIPERAZIN-1-YL)-5-METHYL-N-[(OXOLAN-2-YL)METHYL]THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
G394-0421 Screening compound: 4-(4-ETHYLPIPERAZIN-1-YL)-5-METHYL-N-[(OXOLAN-2-YL)METHYL]THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0421
4-(4-ETHYLPIPERAZIN-1-YL)-5-METHYL-N-[(OXOLAN-2-YL)METHYL]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

G394-0421

Molecular Formula

C19H27N5O2S (C19 H27 N5 O2 S)

Compound Name

4-(4-ETHYLPIPERAZIN-1-YL)-5-METHYL-N-[(OXOLAN-2-YL)METHYL]THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCN(CC1)CCN1c1c(c(C)c(C(NCC2OCCC2)=O)s2)c2ncn1

InChI

InChI=1S/C19H27N5O2S/c1-3-23-6-8-24(9-7-23)17-15-13(2)16(27-19(15)22-12-21-17)18(25)20-11-14-5-4-10-26-14/h12,14H,3-11H2,1-2H3,(H,20,25)/t14-/m1/s1

InChI Key

MLBVMPJAHULMAL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15007360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.083

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-2.38

Polar Surface Area

61.143

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

G394-0421 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G394-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0421?
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What is the minimum amount of G394-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0421
  • 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 G394-0421 available by request