D472-0244 Screening compound: 2-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

D472-0244 Screening compound: 2-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether
D472-0244 Screening compound: 2-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0244
2-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

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

D472-0244

Molecular Formula

C20H17N5OS (C20 H17 N5 OS)

Compound Name

2-[8,9-dimethyl-2-(2-thienyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

IUPAC name

10-(2-methoxyphenyl)-1112-dimethyl-4-(thiophen-2-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(-c4cccs4)nc13)c(C)n2-c(cccc1)c1OC

InChI

InChI=1S/C20H17N5OS/c1-12-13(2)25(14-7-4-5-8-15(14)26-3)19-17(12)20-22-18(16-9-6-10-27-16)23-24(20)11-21-19/h4-11H,1-3H3

InChI Key

YWKCXPVBYBODAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.011

Water Solubility, LogSw

-4.34

Polar Surface Area

41.165

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D472-0244 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0244?
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What is the minimum amount of D472-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0244
  • 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 D472-0244 available by request