4157-4245 Screening compound: 2-((Z)-1-{1-[2-(2-allylphenoxy)ethyl]-1H-indol-3-yl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

4157-4245 Screening compound: 2-((Z)-1-{1-[2-(2-allylphenoxy)ethyl]-1H-indol-3-yl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
4157-4245 Screening compound: 2-((Z)-1-{1-[2-(2-allylphenoxy)ethyl]-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 4157-4245
2-((Z)-1-{1-[2-(2-allylphenoxy)ethyl]-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

4157-4245

Molecular Formula

C29H23N3O2S (C29 H23 N3 O2 S)

Compound Name

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

IUPAC name

(4Z)-4-[(1-{2-[2-(prop-2-en-1-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one

SMILES

C=CCc(cccc1)c1OCCn1c(cccc2)c2c(/C=C2\Sc3nc(cccc4)c4n3C2=O)c1

InChI

InChI=1S/C29H23N3O2S/c1-2-9-20-10-3-8-15-26(20)34-17-16-31-19-21(22-11-4-6-13-24(22)31)18-27-28(33)32-25-14-7-5-12-23(25)30-29(32)35-27/h2-8,10-15,18-19H,1,9,16-17H2

InChI Key

DYEIPICBSYJUNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.419

Distribution Coefficient, logD

6.419

Water Solubility, LogSw

-6.14

Polar Surface Area

33.668

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

4157-4245 in Drug Discovery

Included in Screening Libraries

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

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 4157-4245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-4245?
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What is the minimum amount of 4157-4245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-4245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-4245
  • 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 4157-4245 available by request