L397-0741 Screening compound: 4-(2-furylmethyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

L397-0741 Screening compound: 4-(2-furylmethyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
L397-0741 Screening compound: 4-(2-furylmethyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-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 L397-0741
4-(2-furylmethyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-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

L397-0741

Molecular Formula

C23H19N5O5S (C23 H19 N5 O5 S)

Compound Name

4-(2-furylmethyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-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-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-triene-712-dione

SMILES

Cc(cc1)cc2c1OCCN2C(CN(C(N1c2c3scc2)=O)N=C1N(Cc1ccco1)C3=O)=O

InChI

InChI=1S/C23H19N5O5S/c1-14-4-5-18-17(11-14)25(7-9-33-18)19(29)13-27-23(31)28-16-6-10-34-20(16)21(30)26(22(28)24-27)12-15-3-2-8-32-15/h2-6,8,10-11H,7,9,12-13H2,1H3

InChI Key

DSQYWVUMOIZAEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-2.97

Polar Surface Area

79.711

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L397-0741 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L397-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0741?
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What is the minimum amount of L397-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0741
  • 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 L397-0741 available by request