K305-0126 Screening compound: 1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0126 Screening compound: 1-{[(3-chloro-4-methoxyphenyl)carbamoyl]methyl}-3-(3-methoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0126 Screening compound: 1-{[(3-chloro-4-methoxyphenyl)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 K305-0126
1-{[(3-chloro-4-methoxyphenyl)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

K305-0126

Molecular Formula

C26H25ClN4O6S (C26 H25 ClN4 O6 S)

Compound Name

1-{[(3-chloro-4-methoxyphenyl)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-{[(3-chloro-4-methoxyphenyl)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(Nc(cc2)cc(Cl)c2OC)=O)C(N2c3cc(OC)ccc3)=O)c1C2=O

InChI

InChI=1S/C26H25ClN4O6S/c1-14-21-23(33)31(16-7-6-8-17(12-16)36-4)26(35)30(25(21)38-22(14)24(34)29(2)3)13-20(32)28-15-9-10-19(37-5)18(27)11-15/h6-12H,13H2,1-5H3,(H,28,32)

InChI Key

XMVFHGIYGWFISY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.86

Polar Surface Area

85.431

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K305-0126 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K305-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0126?
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What is the minimum amount of K305-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0126
  • 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 K305-0126 available by request