L397-0598 Screening compound: N~1~-(3,4-dimethylphenyl)-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]acetamide

L397-0598 Screening compound: N~1~-(3,4-dimethylphenyl)-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]acetamide
L397-0598 Screening compound: N~1~-(3,4-dimethylphenyl)-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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L397-0598
N~1~-(3,4-dimethylphenyl)-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]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

L397-0598

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

N~1~-(3,4-dimethylphenyl)-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]acetamide

IUPAC name

N-(34-dimethylphenyl)-2-{712-dioxo-8-[(oxolan-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}acetamide

SMILES

Cc(cc1)c(C)cc1NC(CN(C(N1c2c3scc2)=O)N=C1N(CC1OCCC1)C3=O)=O

InChI

InChI=1S/C22H23N5O4S/c1-13-5-6-15(10-14(13)2)23-18(28)12-26-22(30)27-17-7-9-32-19(17)20(29)25(21(27)24-26)11-16-4-3-8-31-16/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3,(H,23,28)/t16-/m1/s1

InChI Key

XDIUIUYZWKICAN-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27251267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.26

Polar Surface Area

80.757

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

L397-0598 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 L397-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0598?
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What is the minimum amount of L397-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0598
  • 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 L397-0598 available by request