D584-4793 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide

D584-4793 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-2-(8-oxo-2-phenyl-5,6,7,8-tetrahydro-4H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-4-yl)acetamide
D584-4793 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-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 D584-4793
N~1~-(4-methyl-1,3-thiazol-2-yl)-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

D584-4793

Molecular Formula

C20H18N6O2S (C20 H18 N6 O2 S)

Compound Name

N~1~-(4-methyl-1,3-thiazol-2-yl)-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-(4-methyl-13-thiazol-2-yl)-2-{2-oxo-11-phenyl-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-8-yl}acetamide

SMILES

Cc1csc(NC(CN(C2=C3CCC2)c2nc(-c4ccccc4)nn2C3=O)=O)n1

InChI

InChI=1S/C20H18N6O2S/c1-12-11-29-19(21-12)22-16(27)10-25-15-9-5-8-14(15)18(28)26-20(25)23-17(24-26)13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,22,27)

InChI Key

XPFGCSMYLMDRSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.17

Polar Surface Area

71.952

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D584-4793 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D584-4793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-4793?
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What is the minimum amount of D584-4793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4793
  • 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 D584-4793 available by request