4759-7952 Screening compound: 2-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

4759-7952 Screening compound: 2-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
4759-7952 Screening compound: 2-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4759-7952
2-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

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

4759-7952

Molecular Formula

C24H20N4O3S (C24 H20 N4 O3 S)

Compound Name

2-{(Z)-1-[1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl]methylidene}[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

O=C(Cn1c(cccc2)c2c(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1)N1CCOCC1

InChI

InChI=1S/C24H20N4O3S/c29-22(26-9-11-31-12-10-26)15-27-14-16(17-5-1-3-7-19(17)27)13-21-23(30)28-20-8-4-2-6-18(20)25-24(28)32-21/h1-8,13-14H,9-12,15H2

InChI Key

ZYBOYKVKMFIZPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04020416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-2.82

Polar Surface Area

50.486

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4759-7952 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4759-7952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4759-7952?
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What is the minimum amount of 4759-7952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4759-7952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4759-7952
  • 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 4759-7952 available by request