5518-1824 Screening compound: ethyl 2-[2-(2-{acenaphthyleno[1,2-e][1,2,4]triazin-9-ylsulfanyl}acetamido)-1,3-thiazol-5-yl]acetate

5518-1824 Screening compound: ethyl 2-[2-(2-{acenaphthyleno[1,2-e][1,2,4]triazin-9-ylsulfanyl}acetamido)-1,3-thiazol-5-yl]acetate
5518-1824 Screening compound: ethyl 2-[2-(2-{acenaphthyleno[1,2-e][1,2,4]triazin-9-ylsulfanyl}acetamido)-1,3-thiazol-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5518-1824
ethyl 2-[2-(2-{acenaphthyleno[1,2-e][1,2,4]triazin-9-ylsulfanyl}acetamido)-1,3-thiazol-5-yl]acetate

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

5518-1824

Molecular Formula

C22H17N5O3S2 (C22 H17 N5 O3 S2)

Compound Name

ethyl 2-[2-(2-{acenaphthyleno[1,2-e][1,2,4]triazin-9-ylsulfanyl}acetamido)-1,3-thiazol-5-yl]acetate

IUPAC name

ethyl 2-[2-(2-{acenaphthyleno[12-e][124]triazin-9-ylsulfanyl}acetamido)-13-thiazol-5-yl]acetate

SMILES

CCOC(Cc1cnc(NC(CSc2nnc(-c3c(c-4ccc5)c5ccc3)c4n2)=O)s1)=O

InChI

InChI=1S/C22H17N5O3S2/c1-2-30-17(29)9-13-10-23-21(32-13)24-16(28)11-31-22-25-19-14-7-3-5-12-6-4-8-15(18(12)14)20(19)26-27-22/h3-8,10H,2,9,11H2,1H3,(H,23,24,28)

InChI Key

LTURNPXSHMZYDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09963120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-5.00

Polar Surface Area

85.981

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5518-1824 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5518-1824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5518-1824?
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What is the minimum amount of 5518-1824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5518-1824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5518-1824
  • 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 5518-1824 available by request