C694-0195 Screening compound: ethyl 2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-3-phenethyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

C694-0195 Screening compound: ethyl 2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-3-phenethyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
C694-0195 Screening compound: ethyl 2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-3-phenethyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C694-0195
ethyl 2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-3-phenethyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-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

C694-0195

Molecular Formula

C29H30N4O5S (C29 H30 N4 O5 S)

Compound Name

ethyl 2,4-dioxo-1-[2-oxo-2-(4-toluidino)ethyl]-3-phenethyl-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

IUPAC name

ethyl 6-{[(4-methylphenyl)carbamoyl]methyl}-35-dioxo-4-(2-phenylethyl)-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-diene-11-carboxylate

SMILES

CCOC(N(CC1)Cc2c1c(C(N(CCc1ccccc1)C(N1CC(Nc3ccc(C)cc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C29H30N4O5S/c1-3-38-29(37)31-15-14-22-23(17-31)39-27-25(22)26(35)32(16-13-20-7-5-4-6-8-20)28(36)33(27)18-24(34)30-21-11-9-19(2)10-12-21/h4-12H,3,13-18H2,1-2H3,(H,30,34)

InChI Key

LFNDXRJOZAHMIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.08

Polar Surface Area

77.480

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C694-0195 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C694-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C694-0195?
Check Price and Availability of C694-0195, 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 C694-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C694-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C694-0195
  • 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 C694-0195 available by request