G540-0433 Screening compound: ethyl 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

G540-0433 Screening compound: ethyl 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
G540-0433 Screening compound: ethyl 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G540-0433
ethyl 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-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

G540-0433

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

ethyl 1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[5-(4-methoxyphenyl)thieno[23-d]pyrimidin-4-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c1c(c(-c(cc2)ccc2OC)cs2)c2ncn1)=O

InChI

InChI=1S/C21H23N3O3S/c1-3-27-21(25)15-8-10-24(11-9-15)19-18-17(12-28-20(18)23-13-22-19)14-4-6-16(26-2)7-5-14/h4-7,12-13,15H,3,8-11H2,1-2H3

InChI Key

QUWGPZMZWXRYKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10154733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.791

Distribution Coefficient, logD

4.787

Water Solubility, LogSw

-4.70

Polar Surface Area

52.564

Acid Dissociation Constant (pKa)

20.75

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G540-0433 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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:
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G540-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G540-0433?
Check Price and Availability of G540-0433, 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 G540-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G540-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G540-0433
  • 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 G540-0433 available by request