K821-0426 Screening compound: N-(3-chloro-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K821-0426 Screening compound: N-(3-chloro-2-methylphenyl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K821-0426 Screening compound: N-(3-chloro-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 K821-0426
N-(3-chloro-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

K821-0426

Molecular Formula

C22H17Cl2N3O2S (C22 H17 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2c(C)c(Cl)ccc2)=O)sc(N=CN2Cc(cccc3)c3Cl)c1C2=O

InChI

InChI=1S/C22H17Cl2N3O2S/c1-12-15(23)8-5-9-17(12)26-20(28)19-13(2)18-21(30-19)25-11-27(22(18)29)10-14-6-3-4-7-16(14)24/h3-9,11H,10H2,1-2H3,(H,26,28)

InChI Key

DHSOFFNPTSKFEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.37

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

5.263

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.87

Polar Surface Area

48.635

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K821-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K821-0426?
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What is the minimum amount of K821-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K821-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K821-0426
  • 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 K821-0426 available by request