D584-0196 Screening compound: ethyl 4-methyl-2-{2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamido}-1,3-thiazole-5-carboxylate

D584-0196 Screening compound: ethyl 4-methyl-2-{2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamido}-1,3-thiazole-5-carboxylate
D584-0196 Screening compound: ethyl 4-methyl-2-{2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamido}-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-0196
ethyl 4-methyl-2-{2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamido}-1,3-thiazole-5-carboxylate

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

D584-0196

Molecular Formula

C24H24N6O4S (C24 H24 N6 O4 S)

Compound Name

ethyl 4-methyl-2-{2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamido}-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-{2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]acetamido}-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CC2=C(C)N(CC=C)c3nc(-c4ccccc4)nn3C2=O)=O)s1)=O

InChI

InChI=1S/C24H24N6O4S/c1-5-12-29-15(4)17(13-18(31)26-23-25-14(3)19(35-23)22(33)34-6-2)21(32)30-24(29)27-20(28-30)16-10-8-7-9-11-16/h5,7-11H,1,6,12-13H2,2-4H3,(H,25,26,31)

InChI Key

RAXMZPHTRLGVMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-3.95

Polar Surface Area

92.987

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D584-0196 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D584-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-0196?
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What is the minimum amount of D584-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-0196
  • 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 D584-0196 available by request