K305-0117 Screening compound: 1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0117 Screening compound: 1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0117 Screening compound: 1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0117
1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K305-0117

Molecular Formula

C29H32N4O7S (C29 H32 N4 O7 S)

Compound Name

1-({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

1-({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)-3-(3-methoxyphenyl)-NN5-trimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(NCCc(cc2)cc(OC)c2OC)=O)C(N2c3cc(OC)ccc3)=O)c1C2=O

InChI

InChI=1S/C29H32N4O7S/c1-17-24-26(35)33(19-8-7-9-20(15-19)38-4)29(37)32(28(24)41-25(17)27(36)31(2)3)16-23(34)30-13-12-18-10-11-21(39-5)22(14-18)40-6/h7-11,14-15H,12-13,16H2,1-6H3,(H,30,34)

InChI Key

BCGUSKFEVRNUIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-2.62

Polar Surface Area

94.225

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

K305-0117 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K305-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0117?
Check Price and Availability of K305-0117, 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 K305-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0117
  • 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 K305-0117 available by request