3909-8553 Screening compound: 3-[(diethylcarbamoyl)methyl]-N-(2,4-difluorophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

3909-8553 Screening compound: 3-[(diethylcarbamoyl)methyl]-N-(2,4-difluorophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
3909-8553 Screening compound: 3-[(diethylcarbamoyl)methyl]-N-(2,4-difluorophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8553
3-[(diethylcarbamoyl)methyl]-N-(2,4-difluorophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

3909-8553

Molecular Formula

C20H20F2N4O3S (C20 H20 F2 N4 O3 S)

Compound Name

3-[(diethylcarbamoyl)methyl]-N-(2,4-difluorophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

3-[(diethylcarbamoyl)methyl]-N-(24-difluorophenyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)C(CN(C=Nc1c2c(C)c(C(Nc(ccc(F)c3)c3F)=O)s1)C2=O)=O

InChI

InChI=1S/C20H20F2N4O3S/c1-4-25(5-2)15(27)9-26-10-23-19-16(20(26)29)11(3)17(30-19)18(28)24-14-7-6-12(21)8-13(14)22/h6-8,10H,4-5,9H2,1-3H3,(H,24,28)

InChI Key

QWHYTUPDPCHYMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

1.124

Water Solubility, LogSw

-2.94

Polar Surface Area

64.311

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3909-8553 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3909-8553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8553?
Check Price and Availability of 3909-8553, 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 3909-8553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8553
  • 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 3909-8553 available by request