C728-0271 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenethyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide

C728-0271 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenethyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-(3-methoxyphenyl)acetamide
C728-0271 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenethyl-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 C728-0271
2-[7-acetyl-2,4-dioxo-3-phenethyl-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

C728-0271

Molecular Formula

C28H28N4O5S (C28 H28 N4 O5 S)

Compound Name

2-[7-acetyl-2,4-dioxo-3-phenethyl-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-35-dioxo-4-(2-phenylethyl)-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(CCc1ccccc1)C(N1CC(Nc3cc(OC)ccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C28H28N4O5S/c1-18(33)30-13-12-22-23(16-30)38-27-25(22)26(35)31(14-11-19-7-4-3-5-8-19)28(36)32(27)17-24(34)29-20-9-6-10-21(15-20)37-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,29,34)

InChI Key

PUUZNJCGLDTJOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.868

Water Solubility, LogSw

-4.36

Polar Surface Area

79.440

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C728-0271 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C728-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C728-0271?
Check Price and Availability of C728-0271, 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 C728-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C728-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C728-0271
  • 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 C728-0271 available by request