K892-0305 Screening compound: 3-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]METHYL}-N-(2-METHOXYETHYL)-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE

K892-0305 Screening compound: 3-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]METHYL}-N-(2-METHOXYETHYL)-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
K892-0305 Screening compound: 3-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]METHYL}-N-(2-METHOXYETHYL)-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0305
3-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]METHYL}-N-(2-METHOXYETHYL)-5-METHYL-4-OXO-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

K892-0305

Molecular Formula

C20H21ClN4O4S (C20 H21 ClN4 O4 S)

Compound Name

3-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]METHYL}-N-(2-METHOXYETHYL)-5-METHYL-4-OXO-3H,4H-THIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(NCCOC)=O)sc(N=CN2CC(Nc3cc(Cl)c(C)cc3)=O)c1C2=O

InChI

InChI=1S/C20H21ClN4O4S/c1-11-4-5-13(8-14(11)21)24-15(26)9-25-10-23-19-16(20(25)28)12(2)17(30-19)18(27)22-6-7-29-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,22,27)(H,24,26)

InChI Key

VYTQUECIKDKBLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.65

Polar Surface Area

82.259

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

K892-0305 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K892-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0305?
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What is the minimum amount of K892-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0305
  • 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 K892-0305 available by request