L397-0258 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0258 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0258 Screening compound: N~1~-(5-chloro-2-methoxyphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0258
N~1~-(5-chloro-2-methoxyphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]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

L397-0258

Molecular Formula

C21H22ClN5O4S (C21 H22 ClN5 O4 S)

Compound Name

N~1~-(5-chloro-2-methoxyphenyl)-2-[4-isopentyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-[8-(3-methylbutyl)-712-dioxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl]acetamide

SMILES

CC(C)CCN(C(N1c2c3scc2)=NN(CC(Nc(cc(cc2)Cl)c2OC)=O)C1=O)C3=O

InChI

InChI=1S/C21H22ClN5O4S/c1-12(2)6-8-25-19(29)18-15(7-9-32-18)27-20(25)24-26(21(27)30)11-17(28)23-14-10-13(22)4-5-16(14)31-3/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,23,28)

InChI Key

DFCVVZSWMLMXHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.857

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-4.38

Polar Surface Area

79.286

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L397-0258 in Drug Discovery

Included in Screening Libraries

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 L397-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0258?
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What is the minimum amount of L397-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0258
  • 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 L397-0258 available by request