L397-0754 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-(2-furylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

L397-0754 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-(2-furylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
L397-0754 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-(2-furylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0754
2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-(2-furylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

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

L397-0754

Molecular Formula

C23H19N5O4S (C23 H19 N5 O4 S)

Compound Name

2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-4-(2-furylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

8-[(furan-2-yl)methyl]-11-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

O=C(CN(C(N1c2c3scc2)=O)N=C1N(Cc1ccco1)C3=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H19N5O4S/c29-19(25-9-7-15-4-1-2-5-16(15)12-25)14-27-23(31)28-18-8-11-33-20(18)21(30)26(22(28)24-27)13-17-6-3-10-32-17/h1-6,8,10-11H,7,9,12-14H2

InChI Key

DXMJHMIKJWTHAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.788

Distribution Coefficient, logD

2.788

Water Solubility, LogSw

-3.07

Polar Surface Area

72.757

Acid Dissociation Constant (pKa)

18.44

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L397-0754 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 L397-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0754?
Check Price and Availability of L397-0754, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L397-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0754
  • 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 L397-0754 available by request