8016-5810 Screening compound: 3-butyl-9-(methoxymethyl)-7-methyl-2-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

8016-5810 Screening compound: 3-butyl-9-(methoxymethyl)-7-methyl-2-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
8016-5810 Screening compound: 3-butyl-9-(methoxymethyl)-7-methyl-2-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5810
3-butyl-9-(methoxymethyl)-7-methyl-2-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

8016-5810

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

3-butyl-9-(methoxymethyl)-7-methyl-2-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-butyl-13-(methoxymethyl)-11-methyl-4-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CCCCN(C1=O)C(c2ccccc2)=Nc2c1sc1nc(C)cc(COC)c12

InChI

InChI=1S/C22H23N3O2S/c1-4-5-11-25-20(15-9-7-6-8-10-15)24-18-17-16(13-27-3)12-14(2)23-21(17)28-19(18)22(25)26/h6-10,12H,4-5,11,13H2,1-3H3

InChI Key

FYZWTMZTWPPIHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.48

Polar Surface Area

41.298

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with 8016-5810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5810?
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What is the minimum amount of 8016-5810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5810
  • 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 8016-5810 available by request