L397-0576 Screening compound: 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

L397-0576 Screening compound: 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
L397-0576 Screening compound: 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-thienylmethyl)-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 L397-0576
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-thienylmethyl)-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

L397-0576

Molecular Formula

C23H19N5O4S2 (C23 H19 N5 O4 S2)

Compound Name

2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-thienylmethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione

IUPAC name

11-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-8-[(thiophen-2-yl)methyl]-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(Cc1cccs1)C3=O)=O

InChI

InChI=1S/C23H19N5O4S2/c1-14-4-5-18-17(11-14)25(7-8-32-18)19(29)13-27-23(31)28-16-6-10-34-20(16)21(30)26(22(28)24-27)12-15-3-2-9-33-15/h2-6,9-11H,7-8,12-13H2,1H3

InChI Key

KHSQPFCKDODKPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.16

Polar Surface Area

72.980

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L397-0576 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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:
  • Kinases
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L397-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0576?
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What is the minimum amount of L397-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0576
  • 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 L397-0576 available by request