K305-0493 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenethylacetamide

K305-0493 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenethylacetamide
K305-0493 Screening compound: 2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0493
2-[7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-phenethylacetamide

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

K305-0493

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)Cc2c1c(C(N(c1ccccc1)C(N1CC(NCCc3ccccc3)=O)=O)=O)c1s2)=O

InChI

InChI=1S/C27H26N4O4S/c1-18(32)29-15-13-21-22(16-29)36-26-24(21)25(34)31(20-10-6-3-7-11-20)27(35)30(26)17-23(33)28-14-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,28,33)

InChI Key

MNFHYUAGPVWNDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.66

Polar Surface Area

72.470

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K305-0493 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K305-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0493?
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What is the minimum amount of K305-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0493
  • 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 K305-0493 available by request