D472-0021 Screening compound: 7-benzyl-8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0021 Screening compound: 7-benzyl-8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0021 Screening compound: 7-benzyl-8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0021
7-benzyl-8,9-dimethyl-2-(3-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

D472-0021

Molecular Formula

C23H21N5 (C23 H21 N5)

Compound Name

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

IUPAC name

10-benzyl-1112-dimethyl-4-(3-methylphenyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc1c(C)n(Cc2ccccc2)c2c1c1nc(-c3cc(C)ccc3)nn1cn2

InChI

InChI=1S/C23H21N5/c1-15-8-7-11-19(12-15)21-25-23-20-16(2)17(3)27(13-18-9-5-4-6-10-18)22(20)24-14-28(23)26-21/h4-12,14H,13H2,1-3H3

InChI Key

BWZJFISYZFUXOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14830649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.030

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-5.03

Polar Surface Area

32.074

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D472-0021 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D472-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0021?
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What is the minimum amount of D472-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0021
  • 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 D472-0021 available by request