K850-0199 Screening compound: N-(2,2-diethoxyethyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K850-0199 Screening compound: N-(2,2-diethoxyethyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K850-0199 Screening compound: N-(2,2-diethoxyethyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K850-0199
N-(2,2-diethoxyethyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-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

K850-0199

Molecular Formula

C23H28N4O6S (C23 H28 N4 O6 S)

Compound Name

N-(2,2-diethoxyethyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(22-diethoxyethyl)-3-{[(2-methoxyphenyl)carbamoyl]methyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

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

InChI

InChI=1S/C23H28N4O6S/c1-5-32-18(33-6-2)11-24-21(29)20-14(3)19-22(34-20)25-13-27(23(19)30)12-17(28)26-15-9-7-8-10-16(15)31-4/h7-10,13,18H,5-6,11-12H2,1-4H3,(H,24,29)(H,26,28)

InChI Key

NXXMDNBBCUKCDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

1.620

Water Solubility, LogSw

-2.47

Polar Surface Area

95.662

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K850-0199 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K850-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K850-0199?
Check Price and Availability of K850-0199, 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 K850-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K850-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K850-0199
  • 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 K850-0199 available by request