G394-0057 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

G394-0057 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
G394-0057 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0057
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-methylpiperazin-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

G394-0057

Molecular Formula

C20H30N6OS (C20 H30 N6 OS)

Compound Name

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN1C(CNC(c2c(C)c3c(N4CCN(C)CC4)ncnc3s2)=O)CCC1

InChI

InChI=1S/C20H30N6OS/c1-4-25-7-5-6-15(25)12-21-19(27)17-14(2)16-18(22-13-23-20(16)28-17)26-10-8-24(3)9-11-26/h13,15H,4-12H2,1-3H3,(H,21,27)/t15-/m1/s1

InChI Key

COKRUHBSLYDVTM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD15007219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

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

2.183

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-2.43

Polar Surface Area

56.335

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

G394-0057 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 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:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G394-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0057?
Check Price and Availability of G394-0057, 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 G394-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0057
  • 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 G394-0057 available by request