D584-4797 Screening compound: N~1~-(1,3-benzothiazol-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

D584-4797 Screening compound: N~1~-(1,3-benzothiazol-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
D584-4797 Screening compound: N~1~-(1,3-benzothiazol-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 D584-4797
N~1~-(1,3-benzothiazol-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

D584-4797

Molecular Formula

C23H18N6O2S (C23 H18 N6 O2 S)

Compound Name

N~1~-(1,3-benzothiazol-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-(13-benzothiazol-2-yl)-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)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C23H18N6O2S/c30-19(25-22-24-16-10-4-5-12-18(16)32-22)13-28-17-11-6-9-15(17)21(31)29-23(28)26-20(27-29)14-7-2-1-3-8-14/h1-5,7-8,10,12H,6,9,11,13H2,(H,24,25,30)

InChI Key

XCDKBFLMTXCDDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

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

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.27

Polar Surface Area

71.861

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D584-4797 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 D584-4797 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D584-4797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-4797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-4797
  • 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 D584-4797 available by request