D472-0706 Screening compound: 7-(4-fluorophenyl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0706 Screening compound: 7-(4-fluorophenyl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0706 Screening compound: 7-(4-fluorophenyl)-8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0706
7-(4-fluorophenyl)-8,9-dimethyl-2-(2-methylphenyl)-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

D472-0706

Molecular Formula

C22H18FN5 (C22 H18 FN5)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c4c(C)cccc4)nc13)c(C)n2-c(cc1)ccc1F

InChI

InChI=1S/C22H18FN5/c1-13-6-4-5-7-18(13)20-25-22-19-14(2)15(3)28(17-10-8-16(23)9-11-17)21(19)24-12-27(22)26-20/h4-12H,1-3H3

InChI Key

RUDIOZLWJJVQKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.79

Polar Surface Area

32.817

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D472-0706 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D472-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0706?
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What is the minimum amount of D472-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0706
  • 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 D472-0706 available by request