L397-0552 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide

L397-0552 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[1,5-dioxo-4-(2-thienylmethyl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
L397-0552 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[1,5-dioxo-4-(2-thienylmethyl)-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 L397-0552
N~1~-(3-chloro-4-methylphenyl)-2-[1,5-dioxo-4-(2-thienylmethyl)-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

L397-0552

Molecular Formula

C21H16ClN5O3S2 (C21 H16 ClN5 O3 S2)

Compound Name

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

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{712-dioxo-8-[(thiophen-2-yl)methyl]-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)39-trien-11-yl}acetamide

SMILES

Cc(ccc(NC(CN(C(N1c2c3scc2)=O)N=C1N(Cc1cccs1)C3=O)=O)c1)c1Cl

InChI

InChI=1S/C21H16ClN5O3S2/c1-12-4-5-13(9-15(12)22)23-17(28)11-26-21(30)27-16-6-8-32-18(16)19(29)25(20(27)24-26)10-14-3-2-7-31-14/h2-9H,10-11H2,1H3,(H,23,28)

InChI Key

JMHLUWCRYDNDAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.78

Polar Surface Area

73.121

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L397-0552 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 L397-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L397-0552?
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What is the minimum amount of L397-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L397-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L397-0552
  • 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 L397-0552 available by request