E694-0253 Screening compound: 1-benzyl-N-[3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine

E694-0253 Screening compound: 1-benzyl-N-[3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine
E694-0253 Screening compound: 1-benzyl-N-[3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E694-0253
1-benzyl-N-[3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine

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

E694-0253

Molecular Formula

C29H30N6O2S (C29 H30 N6 O2 S)

Compound Name

1-benzyl-N-[3-(3,4-dimethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]piperidin-4-amine

IUPAC name

1-benzyl-N-[3-(34-dimethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]piperidin-4-amine

SMILES

Cc(cc1)c(C)cc1S(c(nnn1c2c3cccc2)c1nc3NC1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C29H30N6O2S/c1-20-12-13-24(18-21(20)2)38(36,37)29-28-31-27(25-10-6-7-11-26(25)35(28)33-32-29)30-23-14-16-34(17-15-23)19-22-8-4-3-5-9-22/h3-13,18,23H,14-17,19H2,1-2H3,(H,30,31)

InChI Key

AHHPNNHFTAYGRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.463

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-5.74

Polar Surface Area

75.883

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

E694-0253 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

KRAS-Targeted Library (16000 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with E694-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E694-0253?
Check Price and Availability of E694-0253, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E694-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E694-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E694-0253
  • 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 E694-0253 available by request