K821-0265 Screening compound: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K821-0265 Screening compound: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K821-0265 Screening compound: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K821-0265
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)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

K821-0265

Molecular Formula

C28H20ClFN4O5S (C28 H20 ClFN4 O5 S)

Compound Name

N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc2cc(Oc(cc3)cc(C)c3Cl)cc([N+]([O-])=O)c2)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O

InChI

InChI=1S/C28H20ClFN4O5S/c1-15-9-20(7-8-22(15)29)39-21-11-18(10-19(12-21)34(37)38)32-26(35)25-16(2)24-27(40-25)31-14-33(28(24)36)13-17-5-3-4-6-23(17)30/h3-12,14H,13H2,1-2H3,(H,32,35)

InChI Key

USBYKHHXUSFMHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.972

Distribution Coefficient, logD

6.733

Water Solubility, LogSw

-6.50

Polar Surface Area

89.462

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

K821-0265 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K821-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K821-0265?
Check Price and Availability of K821-0265, 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 K821-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K821-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K821-0265
  • 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 K821-0265 available by request