D369-0136 Screening compound: 3-(2-fluorophenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

D369-0136 Screening compound: 3-(2-fluorophenyl)-9-(methoxymethyl)-7-methylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
D369-0136 Screening compound: 3-(2-fluorophenyl)-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 D369-0136
3-(2-fluorophenyl)-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

D369-0136

Molecular Formula

C17H13FN4O2S (C17 H13 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(COC)c(c(N=NN(c(cccc2)c2F)C2=O)c2s2)c2n1

InChI

InChI=1S/C17H13FN4O2S/c1-9-7-10(8-24-2)13-14-15(25-16(13)19-9)17(23)22(21-20-14)12-6-4-3-5-11(12)18/h3-7H,8H2,1-2H3

InChI Key

BDANHTSFEKFSPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27582453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

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

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-4.06

Polar Surface Area

54.911

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D369-0136 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D369-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D369-0136?
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What is the minimum amount of D369-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D369-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D369-0136
  • 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 D369-0136 available by request