G540-0869 Screening compound: ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate

G540-0869 Screening compound: ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate
G540-0869 Screening compound: ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G540-0869
ethyl 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]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

G540-0869

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

ethyl 1-[5-(4-chlorophenyl)thieno[23-d]pyrimidin-4-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c1c(c(-c(cc2)ccc2Cl)cs2)c2ncn1)=O

InChI

InChI=1S/C20H20ClN3O2S/c1-2-26-20(25)14-4-3-9-24(10-14)18-17-16(11-27-19(17)23-12-22-18)13-5-7-15(21)8-6-13/h5-8,11-12,14H,2-4,9-10H2,1H3/t14-/m0/s1

InChI Key

IEROZIFUPDBBCF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06377369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.195

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.53

Polar Surface Area

44.954

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

G540-0869 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G540-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G540-0869?
Check Price and Availability of G540-0869, 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 G540-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G540-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G540-0869
  • 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 G540-0869 available by request