G394-0074 Screening compound: ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

G394-0074 Screening compound: ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate
G394-0074 Screening compound: ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0074
ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

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

G394-0074

Molecular Formula

C21H29N5O3S (C21 H29 N5 O3 S)

Compound Name

ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[23-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(C)c2c(N3CCN(C)CC3)ncnc2s1)=O)=O

InChI

InChI=1S/C21H29N5O3S/c1-4-29-21(28)15-6-5-7-26(12-15)20(27)17-14(2)16-18(22-13-23-19(16)30-17)25-10-8-24(3)9-11-25/h13,15H,4-12H2,1-3H3

InChI Key

MFEJSHDRNWIEOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13090464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-2.78

Polar Surface Area

65.351

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

G394-0074 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G394-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0074?
Check Price and Availability of G394-0074, 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 G394-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0074
  • 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 G394-0074 available by request