8018-1989 Screening compound: 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propanoate

8018-1989 Screening compound: 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propanoate
8018-1989 Screening compound: 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1989
4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propanoate

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

8018-1989

Molecular Formula

C24H22N4O6S (C24 H22 N4 O6 S)

Compound Name

4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propanoate

IUPAC name

4-(morpholin-4-yl)-125-thiadiazol-3-yl 3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-(4-methoxyphenyl)propanoate

SMILES

COc1ccc(C(CC(Oc2nsnc2N2CCOCC2)=O)N(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C24H22N4O6S/c1-32-16-8-6-15(7-9-16)19(28-23(30)17-4-2-3-5-18(17)24(28)31)14-20(29)34-22-21(25-35-26-22)27-10-12-33-13-11-27/h2-9,19H,10-14H2,1H3/t19-/m0/s1

InChI Key

OCOJYHONPCIILS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07657221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.39

Polar Surface Area

88.276

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

8018-1989 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-1989 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-1989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1989
  • 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 8018-1989 available by request