L690-0259 Screening compound: 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

L690-0259 Screening compound: 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
L690-0259 Screening compound: 2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L690-0259
2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]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

L690-0259

Molecular Formula

C24H22N6O3S (C24 H22 N6 O3 S)

Compound Name

2-{3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{3-[(3-ethyl-124-oxadiazol-5-yl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CCc1noc(CN(C=Nc2c3n(CC(Nc4cccc(SC)c4)=O)c4c2cccc4)C3=O)n1

InChI

InChI=1S/C24H22N6O3S/c1-3-19-27-21(33-28-19)13-29-14-25-22-17-9-4-5-10-18(17)30(23(22)24(29)32)12-20(31)26-15-7-6-8-16(11-15)34-2/h4-11,14H,3,12-13H2,1-2H3,(H,26,31)

InChI Key

GCFJENCOQYKILJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

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

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.89

Polar Surface Area

80.683

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

L690-0259 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L690-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L690-0259?
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What is the minimum amount of L690-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L690-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L690-0259
  • 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 L690-0259 available by request