D472-0473 Screening compound: 8,9-dimethyl-2-(4-methylphenyl)-7-(2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0473 Screening compound: 8,9-dimethyl-2-(4-methylphenyl)-7-(2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0473 Screening compound: 8,9-dimethyl-2-(4-methylphenyl)-7-(2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0473
8,9-dimethyl-2-(4-methylphenyl)-7-(2-pyridyl)-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

D472-0473

Molecular Formula

C21H18N6 (C21 H18 N6)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c2ncn3nc(-c4ccc(C)cc4)nc13)c(C)n2-c1ncccc1

InChI

InChI=1S/C21H18N6/c1-13-7-9-16(10-8-13)19-24-21-18-14(2)15(3)27(17-6-4-5-11-22-17)20(18)23-12-26(21)25-19/h4-12H,1-3H3

InChI Key

MYOUNYSKKPOEBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-4.53

Polar Surface Area

41.329

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D472-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0473?
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What is the minimum amount of D472-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0473
  • 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 D472-0473 available by request