L397-0418 Screening compound: ethyl 4-({2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate

L397-0418 Screening compound: ethyl 4-({2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate
L397-0418 Screening compound: ethyl 4-({2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0418
ethyl 4-({2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate

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

L397-0418

Molecular Formula

C22H23N5O5S (C22 H23 N5 O5 S)

Compound Name

ethyl 4-({2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate

IUPAC name

ethyl 4-(2-{8-butyl-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}acetamido)benzoate

SMILES

CCCCN(C(N1c2c3scc2)=NN(CC(Nc(cc2)ccc2C(OCC)=O)=O)C1=O)C3=O

InChI

InChI=1S/C22H23N5O5S/c1-3-5-11-25-19(29)18-16(10-12-33-18)27-21(25)24-26(22(27)31)13-17(28)23-15-8-6-14(7-9-15)20(30)32-4-2/h6-10,12H,3-5,11,13H2,1-2H3,(H,23,28)

InChI Key

LKBSIPWLISRUBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-3.80

Polar Surface Area

93.107

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L397-0418 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L397-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0418?
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What is the minimum amount of L397-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0418
  • 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 L397-0418 available by request