E796-0285 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2,5-dimethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

E796-0285 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2,5-dimethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
E796-0285 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2,5-dimethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E796-0285
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2,5-dimethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

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

E796-0285

Molecular Formula

C26H27N5O2S (C26 H27 N5 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2,5-dimethylphenyl)amino]-5-oxo-5H-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(25-dimethylphenyl)amino]-5-oxo-5H-[134]thiadiazolo[23-b]quinazoline-8-carboxamide

SMILES

Cc1cc(NC(SC2=Nc3c4ccc(C(NCCC5=CCCCC5)=O)c3)=NN2C4=O)c(C)cc1

InChI

InChI=1S/C26H27N5O2S/c1-16-8-9-17(2)21(14-16)28-25-30-31-24(33)20-11-10-19(15-22(20)29-26(31)34-25)23(32)27-13-12-18-6-4-3-5-7-18/h6,8-11,14-15H,3-5,7,12-13H2,1-2H3,(H,27,32)(H,28,30)

InChI Key

UHGXDOZHVRRDIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.326

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.26

Polar Surface Area

70.616

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E796-0285 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E796-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E796-0285?
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What is the minimum amount of E796-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E796-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E796-0285
  • 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 E796-0285 available by request