C203-0072 Screening compound: 4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(3-ethylphenyl)benzamide

C203-0072 Screening compound: 4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(3-ethylphenyl)benzamide
C203-0072 Screening compound: 4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(3-ethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C203-0072
4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(3-ethylphenyl)benzamide

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

C203-0072

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

4-({2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}methyl)-N-(3-ethylphenyl)benzamide

IUPAC name

4-({24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}methyl)-N-(3-ethylphenyl)benzamide

SMILES

CCc1cccc(NC(c2ccc(CN(C(c(scc3)c3N3)=O)C3=O)cc2)=O)c1

InChI

InChI=1S/C22H19N3O3S/c1-2-14-4-3-5-17(12-14)23-20(26)16-8-6-15(7-9-16)13-25-21(27)19-18(10-11-29-19)24-22(25)28/h3-12H,2,13H2,1H3,(H,23,26)(H,24,28)

InChI Key

QRJDWTDZHJTIFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14731892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.30

Polar Surface Area

64.590

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C203-0072 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C203-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C203-0072?
Check Price and Availability of C203-0072, 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 C203-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C203-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C203-0072
  • 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 C203-0072 available by request