D148-0386 Screening compound: ethyl 3-[7,8-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

D148-0386 Screening compound: ethyl 3-[7,8-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
D148-0386 Screening compound: ethyl 3-[7,8-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 D148-0386
ethyl 3-[7,8-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

D148-0386

Molecular Formula

C19H16N4O3S (C19 H16 N4 O3 S)

Compound Name

ethyl 3-[7,8-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

IUPAC name

ethyl 3-{1112-dimethyl-6-oxo-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}benzoate

SMILES

CCOC(c1cccc(N(C2=O)N=Nc3c2sc2nc(C)c(C)cc23)c1)=O

InChI

InChI=1S/C19H16N4O3S/c1-4-26-19(25)12-6-5-7-13(9-12)23-18(24)16-15(21-22-23)14-8-10(2)11(3)20-17(14)27-16/h5-9H,4H2,1-3H3

InChI Key

DGCAORTWIZBZMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.689

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.50

Polar Surface Area

68.312

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D148-0386 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D148-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-0386?
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What is the minimum amount of D148-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-0386
  • 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 D148-0386 available by request