C066-5658 Screening compound: ethyl 3-[(diethylcarbamoyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

C066-5658 Screening compound: ethyl 3-[(diethylcarbamoyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
C066-5658 Screening compound: ethyl 3-[(diethylcarbamoyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5658
ethyl 3-[(diethylcarbamoyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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

C066-5658

Molecular Formula

C16H21N3O4S (C16 H21 N3 O4 S)

Compound Name

ethyl 3-[(diethylcarbamoyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 3-[(diethylcarbamoyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCN(CC)C(CN(C=Nc1c2c(C)c(C(OCC)=O)s1)C2=O)=O

InChI

InChI=1S/C16H21N3O4S/c1-5-18(6-2)11(20)8-19-9-17-14-12(15(19)21)10(4)13(24-14)16(22)23-7-3/h9H,5-8H2,1-4H3

InChI Key

FDPOCVHLAWRGHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06466431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.391

Distribution Coefficient, logD

1.391

Water Solubility, LogSw

-1.70

Polar Surface Area

62.671

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C066-5658 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C066-5658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5658?
Check Price and Availability of C066-5658, 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 C066-5658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5658
  • 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 C066-5658 available by request