D472-0334 Screening compound: 7-(4-ethoxyphenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0334 Screening compound: 7-(4-ethoxyphenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0334 Screening compound: 7-(4-ethoxyphenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0334
7-(4-ethoxyphenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

D472-0334

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

7-(4-ethoxyphenyl)-2-(2-furyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n(c(C)c1C)c2c1c1nc(-c3ccco3)nn1cn2

InChI

InChI=1S/C21H19N5O2/c1-4-27-16-9-7-15(8-10-16)26-14(3)13(2)18-20(26)22-12-25-21(18)23-19(24-25)17-6-5-11-28-17/h5-12H,4H2,1-3H3

InChI Key

NHQGFQRDXIRIAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.21

Polar Surface Area

48.519

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D472-0334 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D472-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0334?
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What is the minimum amount of D472-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0334
  • 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 D472-0334 available by request