D472-0248 Screening compound: 3-[8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether

D472-0248 Screening compound: 3-[8,9-dimethyl-2-(2-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl methyl ether
D472-0248 Screening compound: 3-[8,9-dimethyl-2-(2-methylphenyl)-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 D472-0248
3-[8,9-dimethyl-2-(2-methylphenyl)-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

D472-0248

Molecular Formula

C23H21N5O (C23 H21 N5 O)

Compound Name

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

IUPAC name

10-(3-methoxyphenyl)-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-c1cccc(OC)c1

InChI

InChI=1S/C23H21N5O/c1-14-8-5-6-11-19(14)21-25-23-20-15(2)16(3)28(22(20)24-13-27(23)26-21)17-9-7-10-18(12-17)29-4/h5-13H,1-4H3

InChI Key

JSTUOLNQKFMZEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

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

4.671

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.83

Polar Surface Area

40.361

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D472-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0248?
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What is the minimum amount of D472-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0248
  • 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 D472-0248 available by request