D472-0160 Screening compound: 2-(3,4-dimethoxybenzyl)-8,9-dimethyl-7-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0160 Screening compound: 2-(3,4-dimethoxybenzyl)-8,9-dimethyl-7-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0160 Screening compound: 2-(3,4-dimethoxybenzyl)-8,9-dimethyl-7-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0160
2-(3,4-dimethoxybenzyl)-8,9-dimethyl-7-(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

D472-0160

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

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

IUPAC name

4-[(34-dimethoxyphenyl)methyl]-1112-dimethyl-10-(3-methylphenyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(Cc(cc4)cc(OC)c4OC)nc13)c(C)n2-c1cc(C)ccc1

InChI

InChI=1S/C25H25N5O2/c1-15-7-6-8-19(11-15)30-17(3)16(2)23-24(30)26-14-29-25(23)27-22(28-29)13-18-9-10-20(31-4)21(12-18)32-5/h6-12,14H,13H2,1-5H3

InChI Key

YXHUQNGQXVKEIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.76

Polar Surface Area

49.069

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D472-0160 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D472-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0160?
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What is the minimum amount of D472-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0160
  • 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 D472-0160 available by request