D584-4830 Screening compound: N~1~-(4-bromophenyl)-2-[2-(4-methylphenyl)-8-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

D584-4830 Screening compound: N~1~-(4-bromophenyl)-2-[2-(4-methylphenyl)-8-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide
D584-4830 Screening compound: N~1~-(4-bromophenyl)-2-[2-(4-methylphenyl)-8-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-4830
N~1~-(4-bromophenyl)-2-[2-(4-methylphenyl)-8-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

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

D584-4830

Molecular Formula

C23H20BrN5O2 (C23 H20 BrN5 O2)

Compound Name

N~1~-(4-bromophenyl)-2-[2-(4-methylphenyl)-8-oxo-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamide

IUPAC name

N-(4-bromophenyl)-2-[11-(4-methylphenyl)-2-oxo-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-8-yl]acetamide

SMILES

Cc(cc1)ccc1-c(nc1N(CC(Nc(cc2)ccc2Br)=O)C2=C3CCC2)nn1C3=O

InChI

InChI=1S/C23H20BrN5O2/c1-14-5-7-15(8-6-14)21-26-23-28(13-20(30)25-17-11-9-16(24)10-12-17)19-4-2-3-18(19)22(31)29(23)27-21/h5-12H,2-4,13H2,1H3,(H,25,30)

InChI Key

IJTNUOMNLCYZHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.47

Polar Surface Area

62.099

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D584-4830 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D584-4830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4830?
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What is the minimum amount of D584-4830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4830
  • 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 D584-4830 available by request