L397-0226 Screening compound: 2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0226 Screening compound: 2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0226 Screening compound: 2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0226
2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-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

L397-0226

Molecular Formula

C14H17N5O3S (C14 H17 N5 O3 S)

Compound Name

2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

IUPAC name

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

SMILES

CC(C)CCN(C(N1c2c3scc2)=NN(CC(N)=O)C1=O)C3=O

InChI

InChI=1S/C14H17N5O3S/c1-8(2)3-5-17-12(21)11-9(4-6-23-11)19-13(17)16-18(14(19)22)7-10(15)20/h4,6,8H,3,5,7H2,1-2H3,(H2,15,20)

InChI Key

BQEBYDQYWRSMAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.205

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.17

Polar Surface Area

82.863

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L397-0226 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L397-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0226?
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What is the minimum amount of L397-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0226
  • 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 L397-0226 available by request