L397-0235 Screening compound: ethyl 2-({2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate

L397-0235 Screening compound: ethyl 2-({2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetyl}amino)benzoate
L397-0235 Screening compound: ethyl 2-({2-[4-isopentyl-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 L397-0235
ethyl 2-({2-[4-isopentyl-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

L397-0235

Molecular Formula

C23H25N5O5S (C23 H25 N5 O5 S)

Compound Name

ethyl 2-({2-[4-isopentyl-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 2-{2-[8-(3-methylbutyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C(N1c2c3scc2)=O)N=C1N(CCC(C)C)C3=O)=O)=O

InChI

InChI=1S/C23H25N5O5S/c1-4-33-21(31)15-7-5-6-8-16(15)24-18(29)13-27-23(32)28-17-10-12-34-19(17)20(30)26(22(28)25-27)11-9-14(2)3/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H,24,29)

InChI Key

DDBGPOKADVPFSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

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

3.872

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.90

Polar Surface Area

92.409

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L397-0235 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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 L397-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0235?
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What is the minimum amount of L397-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0235
  • 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 L397-0235 available by request