D472-0727 Screening compound: N-{4-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine

D472-0727 Screening compound: N-{4-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenyl}-N,N-dimethylamine
D472-0727 Screening compound: N-{4-[7-(4-fluorophenyl)-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 D472-0727
N-{4-[7-(4-fluorophenyl)-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

D472-0727

Molecular Formula

C23H21FN6 (C23 H21 FN6)

Compound Name

N-{4-[7-(4-fluorophenyl)-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-(4-fluorophenyl)-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(cc1)ccc1F

InChI

InChI=1S/C23H21FN6/c1-14-15(2)30(19-11-7-17(24)8-12-19)22-20(14)23-26-21(27-29(23)13-25-22)16-5-9-18(10-6-16)28(3)4/h5-13H,1-4H3

InChI Key

DYIMHKRCIGTJKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.70

Polar Surface Area

35.622

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D472-0727 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)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0727?
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What is the minimum amount of D472-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0727
  • 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 D472-0727 available by request