G394-0456 Screening compound: 4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]morpholine

G394-0456 Screening compound: 4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]morpholine
G394-0456 Screening compound: 4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound G394-0456
4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]morpholine

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

G394-0456

Molecular Formula

C18H25N5O2S (C18 H25 N5 O2 S)

Compound Name

4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]morpholine

IUPAC name

4-[4-(4-ethylpiperazin-1-yl)-5-methylthieno[23-d]pyrimidine-6-carbonyl]morpholine

SMILES

CCN(CC1)CCN1c1c(c(C)c(C(N2CCOCC2)=O)s2)c2ncn1

InChI

InChI=1S/C18H25N5O2S/c1-3-21-4-6-22(7-5-21)16-14-13(2)15(26-17(14)20-12-19-16)18(24)23-8-10-25-11-9-23/h12H,3-11H2,1-2H3

InChI Key

USKBRYSIMHESKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.389

Water Solubility, LogSw

-1.98

Polar Surface Area

52.632

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

G394-0456 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G394-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G394-0456?
Check Price and Availability of G394-0456, 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 G394-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G394-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G394-0456
  • 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 G394-0456 available by request