C694-0255 Screening compound: ethyl 3-(4-ethylphenyl)-1-isobutyl-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

C694-0255 Screening compound: ethyl 3-(4-ethylphenyl)-1-isobutyl-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
C694-0255 Screening compound: ethyl 3-(4-ethylphenyl)-1-isobutyl-2,4-dioxo-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 C694-0255
ethyl 3-(4-ethylphenyl)-1-isobutyl-2,4-dioxo-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

C694-0255

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1N(C(c1c(N2CC(C)C)sc(C3)c1CCN3C(OCC)=O)=O)C2=O

InChI

InChI=1S/C24H29N3O4S/c1-5-16-7-9-17(10-8-16)27-21(28)20-18-11-12-25(24(30)31-6-2)14-19(18)32-22(20)26(23(27)29)13-15(3)4/h7-10,15H,5-6,11-14H2,1-4H3

InChI Key

QZCJZKZNNLKUSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.040

Distribution Coefficient, logD

5.040

Water Solubility, LogSw

-4.63

Polar Surface Area

54.013

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C694-0255 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C694-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C694-0255?
Check Price and Availability of C694-0255, 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 C694-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C694-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C694-0255
  • 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 C694-0255 available by request