L397-0463 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0463 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0463 Screening compound: N~1~-(4-bromo-3-methylphenyl)-2-[4-butyl-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 L397-0463
N~1~-(4-bromo-3-methylphenyl)-2-[4-butyl-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

L397-0463

Molecular Formula

C20H20BrN5O3S (C20 H20 BrN5 O3 S)

Compound Name

N~1~-(4-bromo-3-methylphenyl)-2-[4-butyl-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-bromo-3-methylphenyl)-2-{8-butyl-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}acetamide

SMILES

CCCCN(C(N1c2c3scc2)=NN(CC(Nc(cc2)cc(C)c2Br)=O)C1=O)C3=O

InChI

InChI=1S/C20H20BrN5O3S/c1-3-4-8-24-18(28)17-15(7-9-30-17)26-19(24)23-25(20(26)29)11-16(27)22-13-5-6-14(21)12(2)10-13/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,22,27)

InChI Key

KRTDHIKAGONDEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.463

Water Solubility, LogSw

-4.11

Polar Surface Area

72.353

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L397-0463 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 L397-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0463?
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What is the minimum amount of L397-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0463
  • 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 L397-0463 available by request