D369-0078 Screening compound: propyl 3-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

D369-0078 Screening compound: propyl 3-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
D369-0078 Screening compound: propyl 3-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D369-0078
propyl 3-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

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

D369-0078

Molecular Formula

C21H20N4O4S (C21 H20 N4 O4 S)

Compound Name

propyl 3-[9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

IUPAC name

propyl 3-[13-(methoxymethyl)-11-methyl-6-oxo-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl]benzoate

SMILES

CCCOC(c1cccc(N(C2=O)N=Nc3c2sc2nc(C)cc(COC)c23)c1)=O

InChI

InChI=1S/C21H20N4O4S/c1-4-8-29-21(27)13-6-5-7-15(10-13)25-20(26)18-17(23-24-25)16-14(11-28-3)9-12(2)22-19(16)30-18/h5-7,9-10H,4,8,11H2,1-3H3

InChI Key

PWBCJHRSWCYUJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.591

Distribution Coefficient, logD

4.591

Water Solubility, LogSw

-4.74

Polar Surface Area

76.260

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D369-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D369-0078?
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What is the minimum amount of D369-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D369-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D369-0078
  • 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 D369-0078 available by request