K840-0387 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K840-0387 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K840-0387 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-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 K840-0387
N-(2H-1,3-benzodioxol-5-yl)-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

K840-0387

Molecular Formula

C22H16FN3O4S (C22 H16 FN3 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-[(2-fluorophenyl)methyl]-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc3c2OCO3)=O)sc(N=CN2Cc(cccc3)c3F)c1C2=O

InChI

InChI=1S/C22H16FN3O4S/c1-12-18-21(24-10-26(22(18)28)9-13-4-2-3-5-15(13)23)31-19(12)20(27)25-14-6-7-16-17(8-14)30-11-29-16/h2-8,10H,9,11H2,1H3,(H,25,27)

InChI Key

XDMHYVVISUUDDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-4.14

Polar Surface Area

66.448

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with K840-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K840-0387?
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What is the minimum amount of K840-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K840-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K840-0387
  • 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 K840-0387 available by request