L397-0590 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3-methoxyphenyl)acetamide

L397-0590 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3-methoxyphenyl)acetamide
L397-0590 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0590
2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3-methoxyphenyl)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

L397-0590

Molecular Formula

C21H21N5O5S (C21 H21 N5 O5 S)

Compound Name

2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(3-methoxyphenyl)acetamide

IUPAC name

2-{712-dioxo-8-[(oxolan-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-(3-methoxyphenyl)acetamide

SMILES

COc1cccc(NC(CN(C(N2c3c4scc3)=O)N=C2N(CC2OCCC2)C4=O)=O)c1

InChI

InChI=1S/C21H21N5O5S/c1-30-14-5-2-4-13(10-14)22-17(27)12-25-21(29)26-16-7-9-32-18(16)19(28)24(20(26)23-25)11-15-6-3-8-31-15/h2,4-5,7,9-10,15H,3,6,8,11-12H2,1H3,(H,22,27)/t15-/m1/s1

InChI Key

MXLXVPMEPSWXBA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27251263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.91

Polar Surface Area

88.301

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L397-0590 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L397-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0590?
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What is the minimum amount of L397-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0590
  • 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 L397-0590 available by request