D472-0720 Screening compound: 4-{[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether

D472-0720 Screening compound: 4-{[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether
D472-0720 Screening compound: 4-{[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0720
4-{[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methyl}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

D472-0720

Molecular Formula

C23H20FN5O (C23 H20 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(Cc(cc4)ccc4OC)nc13)c(C)n2-c(cc1)ccc1F

InChI

InChI=1S/C23H20FN5O/c1-14-15(2)29(18-8-6-17(24)7-9-18)22-21(14)23-26-20(27-28(23)13-25-22)12-16-4-10-19(30-3)11-5-16/h4-11,13H,12H2,1-3H3

InChI Key

YYLVJKAOOVPSQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.67

Polar Surface Area

41.352

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D472-0720 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0720?
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What is the minimum amount of D472-0720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0720
  • 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 D472-0720 available by request