K821-0290 Screening compound: N-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K821-0290 Screening compound: N-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K821-0290 Screening compound: N-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K821-0290
N-(4-fluorophenyl)-3-[(2-fluorophenyl)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

K821-0290

Molecular Formula

C21H15F2N3O2S (C21 H15 F2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc2)ccc2F)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O

InChI

InChI=1S/C21H15F2N3O2S/c1-12-17-20(29-18(12)19(27)25-15-8-6-14(22)7-9-15)24-11-26(21(17)28)10-13-4-2-3-5-16(13)23/h2-9,11H,10H2,1H3,(H,25,27)

InChI Key

IDGTYNNEJIZWRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.43

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

3.943

Distribution Coefficient, logD

3.893

Water Solubility, LogSw

-4.19

Polar Surface Area

49.332

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with K821-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K821-0290?
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What is the minimum amount of K821-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K821-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K821-0290
  • 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 K821-0290 available by request