K892-0344 Screening compound: methyl 2-[(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate

K892-0344 Screening compound: methyl 2-[(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate
K892-0344 Screening compound: methyl 2-[(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K892-0344
methyl 2-[(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate

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

K892-0344

Molecular Formula

C20H19ClN4O5S (C20 H19 ClN4 O5 S)

Compound Name

methyl 2-[(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate

IUPAC name

methyl 2-[(3-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-6-yl)formamido]acetate

SMILES

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

InChI

InChI=1S/C20H19ClN4O5S/c1-10-4-5-12(6-13(10)21)24-14(26)8-25-9-23-19-16(20(25)29)11(2)17(31-19)18(28)22-7-15(27)30-3/h4-6,9H,7-8H2,1-3H3,(H,22,28)(H,24,26)

InChI Key

FWLSASKGZZLGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.687

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.68

Polar Surface Area

94.654

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K892-0344 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K892-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K892-0344?
Check Price and Availability of K892-0344, 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 K892-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K892-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K892-0344
  • 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 K892-0344 available by request