D472-0226 Screening compound: 2-[2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

D472-0226 Screening compound: 2-[2-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether
D472-0226 Screening compound: 2-[2-(4-fluorophenyl)-8,9-dimethyl-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 D472-0226
2-[2-(4-fluorophenyl)-8,9-dimethyl-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

D472-0226

Molecular Formula

C22H18FN5O (C22 H18 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c(cc4)ccc4F)nc13)c(C)n2-c(cccc1)c1OC

InChI

InChI=1S/C22H18FN5O/c1-13-14(2)28(17-6-4-5-7-18(17)29-3)21-19(13)22-25-20(26-27(22)12-24-21)15-8-10-16(23)11-9-15/h4-12H,1-3H3

InChI Key

OSENTJBNQZUFGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

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

4.261

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-4.67

Polar Surface Area

40.147

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D472-0226 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D472-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0226?
Check Price and Availability of D472-0226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D472-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0226
  • 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 D472-0226 available by request