K840-0398 Screening compound: 3-[(2-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K840-0398 Screening compound: 3-[(2-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K840-0398 Screening compound: 3-[(2-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K840-0398
3-[(2-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-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

K840-0398

Molecular Formula

C23H20FN3O3S (C23 H20 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc(C)cc2)c2OC)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O

InChI

InChI=1S/C23H20FN3O3S/c1-13-8-9-18(30-3)17(10-13)26-21(28)20-14(2)19-22(31-20)25-12-27(23(19)29)11-15-6-4-5-7-16(15)24/h4-10,12H,11H2,1-3H3,(H,26,28)

InChI Key

IMTNLKVDBDUDGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.950

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.16

Polar Surface Area

56.265

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with K840-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0398?
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What is the minimum amount of K840-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0398
  • 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 K840-0398 available by request