K305-0106 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-ethoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K305-0106 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-ethoxyphenyl)-N,N,5-trimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K305-0106 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-ethoxyphenyl)-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 K305-0106
1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-ethoxyphenyl)-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

K305-0106

Molecular Formula

C27H27ClN4O6S (C27 H27 ClN4 O6 S)

Compound Name

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

IUPAC name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-3-(4-ethoxyphenyl)-NN5-trimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCOc(cc1)ccc1N(C(c1c(N2CC(Nc(cc(cc3)Cl)c3OC)=O)sc(C(N(C)C)=O)c1C)=O)C2=O

InChI

InChI=1S/C27H27ClN4O6S/c1-6-38-18-10-8-17(9-11-18)32-24(34)22-15(2)23(25(35)30(3)4)39-26(22)31(27(32)36)14-21(33)29-19-13-16(28)7-12-20(19)37-5/h7-13H,6,14H2,1-5H3,(H,29,33)

InChI Key

CMIXXZVONMMTOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.92

Polar Surface Area

84.313

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K305-0106 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K305-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0106?
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What is the minimum amount of K305-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0106
  • 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 K305-0106 available by request