D584-4761 Screening compound: 2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N~1~-(tetrahydro-2-furanylmethyl)acetamide

D584-4761 Screening compound: 2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N~1~-(tetrahydro-2-furanylmethyl)acetamide
D584-4761 Screening compound: 2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N~1~-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-4761
2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-N~1~-(tetrahydro-2-furanylmethyl)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

D584-4761

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C1=C2CCC1)c1nc(-c3ccccc3)nn1C2=O)NCC1OCCC1

InChI

InChI=1S/C21H23N5O3/c27-18(22-12-15-8-5-11-29-15)13-25-17-10-4-9-16(17)20(28)26-21(25)23-19(24-26)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,22,27)/t15-/m1/s1

InChI Key

WRRHNTYXWDPDIY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27594256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.554

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-2.20

Polar Surface Area

72.076

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D584-4761 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D584-4761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4761?
Check Price and Availability of D584-4761, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D584-4761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4761
  • 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 D584-4761 available by request