C172-0727 Screening compound: ethyl 1-(3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanoyl)piperidine-4-carboxylate

C172-0727 Screening compound: ethyl 1-(3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanoyl)piperidine-4-carboxylate
C172-0727 Screening compound: ethyl 1-(3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0727
ethyl 1-(3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanoyl)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

C172-0727

Molecular Formula

C17H21N3O5S (C17 H21 N3 O5 S)

Compound Name

ethyl 1-(3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}propanoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(3-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}propanoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCN(C(c(scc1)c1N1)=O)C1=O)=O)=O

InChI

InChI=1S/C17H21N3O5S/c1-2-25-16(23)11-3-7-19(8-4-11)13(21)5-9-20-15(22)14-12(6-10-26-14)18-17(20)24/h6,10-11H,2-5,7-9H2,1H3,(H,18,24)

InChI Key

ZSDZFWKYJJQQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.276

Distribution Coefficient, logD

1.275

Water Solubility, LogSw

-2.32

Polar Surface Area

78.623

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

C172-0727 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C172-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0727?
Check Price and Availability of C172-0727, 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 C172-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0727
  • 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 C172-0727 available by request