L397-0545 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~-(1-methyl-3-phenylpropyl)acetamide

L397-0545 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~-(1-methyl-3-phenylpropyl)acetamide
L397-0545 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~-(1-methyl-3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0545
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~-(1-methyl-3-phenylpropyl)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

L397-0545

Molecular Formula

C24H23N5O3S2 (C24 H23 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~-(1-methyl-3-phenylpropyl)acetamide

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-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CN(C(N1c2c3scc2)=O)N=C1N(Cc1cccs1)C3=O)=O

InChI

InChI=1S/C24H23N5O3S2/c1-16(9-10-17-6-3-2-4-7-17)25-20(30)15-28-24(32)29-19-11-13-34-21(19)22(31)27(23(29)26-28)14-18-8-5-12-33-18/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,25,30)/t16-/m0/s1

InChI Key

LLFQKRWCYWJWNC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27251230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-3.92

Polar Surface Area

73.885

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

L397-0545 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with L397-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0545?
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What is the minimum amount of L397-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0545
  • 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 L397-0545 available by request