C728-0202 Screening compound: 2-[7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide

C728-0202 Screening compound: 2-[7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide
C728-0202 Screening compound: 2-[7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C728-0202
2-[7-acetyl-3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide

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

C728-0202

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

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

IUPAC name

2-{11-acetyl-4-benzyl-35-dioxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-6-yl}-N-(3-methoxyphenyl)acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(Cc1ccccc1)C(N1CC(Nc3cc(OC)ccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C27H26N4O5S/c1-17(32)29-12-11-21-22(15-29)37-26-24(21)25(34)30(14-18-7-4-3-5-8-18)27(35)31(26)16-23(33)28-19-9-6-10-20(13-19)36-2/h3-10,13H,11-12,14-16H2,1-2H3,(H,28,33)

InChI Key

BBONEJKTGABJHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-4.30

Polar Surface Area

79.461

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C728-0202 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C728-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0202?
Check Price and Availability of C728-0202, 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 C728-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0202
  • 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 C728-0202 available by request