K840-0423 Screening compound: 3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K840-0423 Screening compound: 3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K840-0423 Screening compound: 3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0423
3-[(2-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-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

K840-0423

Molecular Formula

C22H17ClN4O5S (C22 H17 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc(cc2)[N+]([O-])=O)c2OC)=O)sc(N=CN2Cc(cccc3)c3Cl)c1C2=O

InChI

InChI=1S/C22H17ClN4O5S/c1-12-18-21(24-11-26(22(18)29)10-13-5-3-4-6-15(13)23)33-19(12)20(28)25-16-9-14(27(30)31)7-8-17(16)32-2/h3-9,11H,10H2,1-2H3,(H,25,28)

InChI Key

QUZFGNJMKFFMPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-4.55

Polar Surface Area

89.647

Acid Dissociation Constant (pKa)

6.04

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 K840-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0423?
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What is the minimum amount of K840-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0423
  • 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 K840-0423 available by request