K850-0203 Screening compound: ethyl 2-[(3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate

K850-0203 Screening compound: ethyl 2-[(3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-6-yl)formamido]acetate
K850-0203 Screening compound: ethyl 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 K850-0203
ethyl 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

K850-0203

Molecular Formula

C21H22N4O6S (C21 H22 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CNC(c1c(C)c(C(N(CC(Nc(cccc2)c2OC)=O)C=N2)=O)c2s1)=O)=O

InChI

InChI=1S/C21H22N4O6S/c1-4-31-16(27)9-22-19(28)18-12(2)17-20(32-18)23-11-25(21(17)29)10-15(26)24-13-7-5-6-8-14(13)30-3/h5-8,11H,4,9-10H2,1-3H3,(H,22,28)(H,24,26)

InChI Key

MPGIXOQLMZLJLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-2.50

Polar Surface Area

101.167

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K850-0203 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K850-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K850-0203?
Check Price and Availability of K850-0203, 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 K850-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K850-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K850-0203
  • 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 K850-0203 available by request