D472-0241 Screening compound: N-{4-[7-(2-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine

D472-0241 Screening compound: N-{4-[7-(2-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine
D472-0241 Screening compound: N-{4-[7-(2-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0241
N-{4-[7-(2-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine

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

D472-0241

Molecular Formula

C24H24N6O (C24 H24 N6 O)

Compound Name

N-{4-[7-(2-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine

IUPAC name

4-[10-(2-methoxyphenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl]-NN-dimethylaniline

SMILES

Cc(c1c2ncn3nc(-c(cc4)ccc4N(C)C)nc13)c(C)n2-c(cccc1)c1OC

InChI

InChI=1S/C24H24N6O/c1-15-16(2)30(19-8-6-7-9-20(19)31-5)23-21(15)24-26-22(27-29(24)14-25-23)17-10-12-18(13-11-17)28(3)4/h6-14H,1-5H3

InChI Key

RNJHCFPJPVQMFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-4.71

Polar Surface Area

42.952

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D472-0241 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 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 D472-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0241?
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What is the minimum amount of D472-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0241
  • 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 D472-0241 available by request