L397-0553 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~-isopentylacetamide

L397-0553 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~-isopentylacetamide
L397-0553 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~-isopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0553
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~-isopentylacetamide

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

L397-0553

Molecular Formula

C19H21N5O3S2 (C19 H21 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~-isopentylacetamide

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-(3-methylbutyl)acetamide

SMILES

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

InChI

InChI=1S/C19H21N5O3S2/c1-12(2)5-7-20-15(25)11-23-19(27)24-14-6-9-29-16(14)17(26)22(18(24)21-23)10-13-4-3-8-28-13/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,20,25)

InChI Key

QUJRFTQUXNXBQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.12

Polar Surface Area

74.557

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

L397-0553 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 L397-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0553?
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What is the minimum amount of L397-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0553
  • 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 L397-0553 available by request