K821-0389 Screening compound: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K821-0389 Screening compound: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K821-0389 Screening compound: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K821-0389
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-chlorophenyl)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

K821-0389

Molecular Formula

C28H20Cl2N4O5S (C28 H20 Cl2 N4 O5 S)

Compound Name

N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-[(2-chlorophenyl)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-chlorophenyl)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)c3Cl)c1C2=O

InChI

InChI=1S/C28H20Cl2N4O5S/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

OQLZSLIYTHNDLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.46

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

7.316

Distribution Coefficient, logD

7.077

Water Solubility, LogSw

-6.45

Polar Surface Area

89.462

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

K821-0389 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K821-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K821-0389?
Check Price and Availability of K821-0389, 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 K821-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K821-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K821-0389
  • 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 K821-0389 available by request