D148-0202 Screening compound: 8-bromo-3-(2,6-dimethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

D148-0202 Screening compound: 8-bromo-3-(2,6-dimethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
D148-0202 Screening compound: 8-bromo-3-(2,6-dimethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-0202
8-bromo-3-(2,6-dimethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-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

D148-0202

Molecular Formula

C19H17BrN4O2S (C19 H17 BrN4 O2 S)

Compound Name

8-bromo-3-(2,6-dimethylphenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

IUPAC name

12-bromo-5-(26-dimethylphenyl)-13-(methoxymethyl)-11-methyl-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

Cc1cccc(C)c1N(C1=O)N=Nc2c1sc(nc1C)c2c(COC)c1Br

InChI

InChI=1S/C19H17BrN4O2S/c1-9-6-5-7-10(2)16(9)24-19(25)17-15(22-23-24)13-12(8-26-4)14(20)11(3)21-18(13)27-17/h5-7H,8H2,1-4H3

InChI Key

OXEPHNQCZZJUSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-4.98

Polar Surface Area

55.381

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D148-0202 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D148-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-0202?
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What is the minimum amount of D148-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-0202
  • 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 D148-0202 available by request