D584-4775 Screening compound: N~1~-(3-fluorophenyl)-2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide

D584-4775 Screening compound: N~1~-(3-fluorophenyl)-2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide
D584-4775 Screening compound: N~1~-(3-fluorophenyl)-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 D584-4775
N~1~-(3-fluorophenyl)-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

D584-4775

Molecular Formula

C22H18FN5O2 (C22 H18 FN5 O2)

Compound Name

N~1~-(3-fluorophenyl)-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-(3-fluorophenyl)-2-{2-oxo-11-phenyl-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-8-yl}acetamide

SMILES

O=C(CN(C1=C2CCC1)c1nc(-c3ccccc3)nn1C2=O)Nc1cccc(F)c1

InChI

InChI=1S/C22H18FN5O2/c23-15-8-4-9-16(12-15)24-19(29)13-27-18-11-5-10-17(18)21(30)28-22(27)25-20(26-28)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2,(H,24,29)

InChI Key

GVJBTSDGISXRDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

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

3.674

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.00

Polar Surface Area

62.099

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D584-4775 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 D584-4775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4775?
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What is the minimum amount of D584-4775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4775
  • 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 D584-4775 available by request