C172-0360 Screening compound: 3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

C172-0360 Screening compound: 3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide
C172-0360 Screening compound: 3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C172-0360
3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

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

C172-0360

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-{3-[ethyl(phenyl)amino]propyl}propanamide

IUPAC name

n/a

SMILES

CCN(CCCNC(CCN(C(c(scc1)c1N1)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C20H24N4O3S/c1-2-23(15-7-4-3-5-8-15)12-6-11-21-17(25)9-13-24-19(26)18-16(10-14-28-18)22-20(24)27/h3-5,7-8,10,14H,2,6,9,11-13H2,1H3,(H,21,25)(H,22,27)

InChI Key

WBLHCDCXXRXRMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.84

Polar Surface Area

68.780

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C172-0360 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C172-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C172-0360?
Check Price and Availability of C172-0360, 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 C172-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C172-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C172-0360
  • 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 C172-0360 available by request