C728-0803 Screening compound: 2-[7-acetyl-3-(2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

C728-0803 Screening compound: 2-[7-acetyl-3-(2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide
C728-0803 Screening compound: 2-[7-acetyl-3-(2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C728-0803
2-[7-acetyl-3-(2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

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

C728-0803

Molecular Formula

C26H24N4O4S (C26 H24 N4 O4 S)

Compound Name

2-[7-acetyl-3-(2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenylacetamide

IUPAC name

2-[11-acetyl-4-(2-methylphenyl)-35-dioxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl]-N-phenylacetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c1c(C)cccc1)C(N1CC(Nc3ccccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C26H24N4O4S/c1-16-8-6-7-11-20(16)30-24(33)23-19-12-13-28(17(2)31)14-21(19)35-25(23)29(26(30)34)15-22(32)27-18-9-4-3-5-10-18/h3-11H,12-15H2,1-2H3,(H,27,32)

InChI Key

KULUZDPSPRIPQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.75

Polar Surface Area

71.005

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C728-0803 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C728-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0803?
Check Price and Availability of C728-0803, 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 C728-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0803
  • 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 C728-0803 available by request