D584-4762 Screening compound: N~1~-hexyl-2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide

D584-4762 Screening compound: N~1~-hexyl-2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide
D584-4762 Screening compound: N~1~-hexyl-2-(8-oxo-2-phenyl-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 D584-4762
N~1~-hexyl-2-(8-oxo-2-phenyl-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

D584-4762

Molecular Formula

C22H27N5O2 (C22 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCNC(CN(C1=C2CCC1)c1nc(-c3ccccc3)nn1C2=O)=O

InChI

InChI=1S/C22H27N5O2/c1-2-3-4-8-14-23-19(28)15-26-18-13-9-12-17(18)21(29)27-22(26)24-20(25-27)16-10-6-5-7-11-16/h5-7,10-11H,2-4,8-9,12-15H2,1H3,(H,23,28)

InChI Key

LWNCICVASYLLOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.63

Polar Surface Area

63.534

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D584-4762 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 D584-4762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4762?
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What is the minimum amount of D584-4762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4762
  • 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 D584-4762 available by request