E694-0111 Screening compound: 1-[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-benzylpiperidine

E694-0111 Screening compound: 1-[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-benzylpiperidine
E694-0111 Screening compound: 1-[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-benzylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E694-0111
1-[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-benzylpiperidine

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

E694-0111

Molecular Formula

C27H25N5O2S (C27 H25 N5 O2 S)

Compound Name

1-[3-(benzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-benzylpiperidine

IUPAC name

1-[3-(benzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-benzylpiperidine

SMILES

O=S(c(nnn1c2c3cccc2)c1nc3N1CCC(Cc2ccccc2)CC1)(c1ccccc1)=O

InChI

InChI=1S/C27H25N5O2S/c33-35(34,22-11-5-2-6-12-22)27-26-28-25(23-13-7-8-14-24(23)32(26)30-29-27)31-17-15-21(16-18-31)19-20-9-3-1-4-10-20/h1-14,21H,15-19H2

InChI Key

JFUJABJIBWQZJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.994

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-6.33

Polar Surface Area

64.857

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E694-0111 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E694-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E694-0111?
Check Price and Availability of E694-0111, 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 E694-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E694-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E694-0111
  • 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 E694-0111 available by request