L397-0610 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(2-ethoxyphenyl)acetamide

L397-0610 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(2-ethoxyphenyl)acetamide
L397-0610 Screening compound: 2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0610
2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(2-ethoxyphenyl)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

L397-0610

Molecular Formula

C22H23N5O5S (C22 H23 N5 O5 S)

Compound Name

2-[1,5-dioxo-4-(tetrahydro-2-furanylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]-N~1~-(2-ethoxyphenyl)acetamide

IUPAC name

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

SMILES

CCOc(cccc1)c1NC(CN(C(N1c2c3scc2)=O)N=C1N(CC1OCCC1)C3=O)=O

InChI

InChI=1S/C22H23N5O5S/c1-2-31-17-8-4-3-7-15(17)23-18(28)13-26-22(30)27-16-9-11-33-19(16)20(29)25(21(27)24-26)12-14-6-5-10-32-14/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H,23,28)/t14-/m1/s1

InChI Key

BQPDJGMCPWVDIL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27251274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.74

Polar Surface Area

87.270

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L397-0610 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 L397-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0610?
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What is the minimum amount of L397-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0610
  • 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 L397-0610 available by request