K892-0313 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K892-0313 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K892-0313 Screening compound: 3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0313
3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[2-(diethylamino)ethyl]-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

K892-0313

Molecular Formula

C23H28ClN5O3S (C23 H28 ClN5 O3 S)

Compound Name

3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[2-(diethylamino)ethyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCN(CC)CCNC(c1c(C)c(C(N(CC(Nc2cc(Cl)c(C)cc2)=O)C=N2)=O)c2s1)=O

InChI

InChI=1S/C23H28ClN5O3S/c1-5-28(6-2)10-9-25-21(31)20-15(4)19-22(33-20)26-13-29(23(19)32)12-18(30)27-16-8-7-14(3)17(24)11-16/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,25,31)(H,27,30)

InChI Key

BPYDDSGLEOEGOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-4.23

Polar Surface Area

77.328

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K892-0313 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 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:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K892-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0313?
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What is the minimum amount of K892-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0313
  • 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 K892-0313 available by request