C203-0178 Screening compound: 3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-phenoxyphenyl)propanamide

C203-0178 Screening compound: 3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-phenoxyphenyl)propanamide
C203-0178 Screening compound: 3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-phenoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C203-0178
3-{2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-(4-phenoxyphenyl)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

C203-0178

Molecular Formula

C21H17N3O4S (C21 H17 N3 O4 S)

Compound Name

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

IUPAC name

3-{24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl}-N-(4-phenoxyphenyl)propanamide

SMILES

O=C(CCN(C(c(scc1)c1N1)=O)C1=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C21H17N3O4S/c25-18(10-12-24-20(26)19-17(11-13-29-19)23-21(24)27)22-14-6-8-16(9-7-14)28-15-4-2-1-3-5-15/h1-9,11,13H,10,12H2,(H,22,25)(H,23,27)

InChI Key

AXEYXUWLKJXZNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-4.09

Polar Surface Area

71.374

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C203-0178 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C203-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C203-0178?
Check Price and Availability of C203-0178, 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 C203-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C203-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C203-0178
  • 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 C203-0178 available by request