K850-0228 Screening compound: methyl 2-[(3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate

K850-0228 Screening compound: methyl 2-[(3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate
K850-0228 Screening compound: methyl 2-[(3-{[(2-methoxyphenyl)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 K850-0228
methyl 2-[(3-{[(2-methoxyphenyl)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

K850-0228

Molecular Formula

C20H20N4O6S (C20 H20 N4 O6 S)

Compound Name

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

IUPAC name

methyl 2-[(3-{[(2-methoxyphenyl)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(Nc(cccc3)c3OC)=O)c1C2=O

InChI

InChI=1S/C20H20N4O6S/c1-11-16-19(31-17(11)18(27)21-8-15(26)30-3)22-10-24(20(16)28)9-14(25)23-12-6-4-5-7-13(12)29-2/h4-7,10H,8-9H2,1-3H3,(H,21,27)(H,23,25)

InChI Key

ZJNKZCKLDXBFLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.050

Distribution Coefficient, logD

1.050

Water Solubility, LogSw

-2.34

Polar Surface Area

101.587

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K850-0228 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K850-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K850-0228?
Check Price and Availability of K850-0228, 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 K850-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K850-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K850-0228
  • 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 K850-0228 available by request