D148-5023 Screening compound: butyl 4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

D148-5023 Screening compound: butyl 4-[7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
D148-5023 Screening compound: butyl 4-[7,9-dimethyl-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 D148-5023
butyl 4-[7,9-dimethyl-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

D148-5023

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

IUPAC name

butyl 4-{1113-dimethyl-6-oxo-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}benzoate

SMILES

CCCCOC(c(cc1)ccc1N(C1=O)N=Nc2c1sc1nc(C)cc(C)c12)=O

InChI

InChI=1S/C21H20N4O3S/c1-4-5-10-28-21(27)14-6-8-15(9-7-14)25-20(26)18-17(23-24-25)16-12(2)11-13(3)22-19(16)29-18/h6-9,11H,4-5,10H2,1-3H3

InChI Key

ZTWZECZVCKLIQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.561

Distribution Coefficient, logD

5.561

Water Solubility, LogSw

-5.59

Polar Surface Area

67.836

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D148-5023 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D148-5023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-5023?
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What is the minimum amount of D148-5023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-5023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-5023
  • 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 D148-5023 available by request