D472-1180 Screening compound: 4-{2-[8,9-dimethyl-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-methoxyphenyl methyl ether

D472-1180 Screening compound: 4-{2-[8,9-dimethyl-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-methoxyphenyl methyl ether
D472-1180 Screening compound: 4-{2-[8,9-dimethyl-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-1180
4-{2-[8,9-dimethyl-2-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]ethyl}-2-methoxyphenyl 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

D472-1180

Molecular Formula

C26H27N5O2 (C26 H27 N5 O2)

Compound Name

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

IUPAC name

10-[2-(34-dimethoxyphenyl)ethyl]-1112-dimethyl-4-(4-methylphenyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc1c(C)n(CCc(cc2)cc(OC)c2OC)c2c1c1nc(-c3ccc(C)cc3)nn1cn2

InChI

InChI=1S/C26H27N5O2/c1-16-6-9-20(10-7-16)24-28-26-23-17(2)18(3)30(25(23)27-15-31(26)29-24)13-12-19-8-11-21(32-4)22(14-19)33-5/h6-11,14-15H,12-13H2,1-5H3

InChI Key

WKYKZASKTJYWLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.76

Polar Surface Area

47.313

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D472-1180 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D472-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-1180?
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What is the minimum amount of D472-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-1180
  • 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 D472-1180 available by request