L397-0358 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0358 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0358 Screening compound: N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-isobutyl-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 L397-0358
N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-isobutyl-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

L397-0358

Molecular Formula

C21H22ClN5O4S (C21 H22 ClN5 O4 S)

Compound Name

N~1~-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-isobutyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[8-(2-methylpropyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]acetamide

SMILES

CC(C)CN(C(N1c2c3scc2)=NN(CC(Nc(c(OC)c2)cc(C)c2Cl)=O)C1=O)C3=O

InChI

InChI=1S/C21H22ClN5O4S/c1-11(2)9-25-19(29)18-15(5-6-32-18)27-20(25)24-26(21(27)30)10-17(28)23-14-7-12(3)13(22)8-16(14)31-4/h5-8,11H,9-10H2,1-4H3,(H,23,28)

InChI Key

BTUCPBCNBODGAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.50

Polar Surface Area

79.307

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L397-0358 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 L397-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0358?
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What is the minimum amount of L397-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0358
  • 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 L397-0358 available by request