L397-0574 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-methyl-N~1~-phenylacetamide

L397-0574 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-methyl-N~1~-phenylacetamide
L397-0574 Screening compound: 2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-methyl-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0574
2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-methyl-N~1~-phenylacetamide

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

L397-0574

Molecular Formula

C21H17N5O3S2 (C21 H17 N5 O3 S2)

Compound Name

2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-methyl-N~1~-phenylacetamide

IUPAC name

2-{712-dioxo-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}-N-methyl-N-phenylacetamide

SMILES

CN(C(CN(C(N1c2c3scc2)=O)N=C1N(Cc1cccs1)C3=O)=O)c1ccccc1

InChI

InChI=1S/C21H17N5O3S2/c1-23(14-6-3-2-4-7-14)17(27)13-25-21(29)26-16-9-11-31-18(16)19(28)24(20(26)22-25)12-15-8-5-10-30-15/h2-11H,12-13H2,1H3

InChI Key

ZGHSUIAKERQSMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-2.54

Polar Surface Area

65.085

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L397-0574 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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
  • 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 L397-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0574?
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What is the minimum amount of L397-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0574
  • 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 L397-0574 available by request