K821-0457 Screening compound: N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K821-0457 Screening compound: N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K821-0457 Screening compound: N-(4-bromo-2-methylphenyl)-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 K821-0457
N-(4-bromo-2-methylphenyl)-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

K821-0457

Molecular Formula

C22H17BrClN3O2S (C22 H17 BrClN3 O2 S)

Compound Name

N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(4-bromo-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2)c(C)cc2Br)=O)sc(N=CN2Cc(cccc3)c3Cl)c1C2=O

InChI

InChI=1S/C22H17BrClN3O2S/c1-12-9-15(23)7-8-17(12)26-20(28)19-13(2)18-21(30-19)25-11-27(22(18)29)10-14-5-3-4-6-16(14)24/h3-9,11H,10H2,1-2H3,(H,26,28)

InChI Key

XAGNOSPEFGXKKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.97

Polar Surface Area

48.635

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K821-0457 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K821-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K821-0457?
Check Price and Availability of K821-0457, 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 K821-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K821-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K821-0457
  • 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 K821-0457 available by request