E694-0075 Screening compound: 1-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-nitrophenyl)piperazine

E694-0075 Screening compound: 1-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-nitrophenyl)piperazine
E694-0075 Screening compound: 1-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E694-0075
1-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-nitrophenyl)piperazine

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

E694-0075

Molecular Formula

C26H23N7O4S (C26 H23 N7 O4 S)

Compound Name

1-[3-(4-methylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-nitrophenyl)piperazine

IUPAC name

1-[3-(4-methylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-(4-nitrophenyl)piperazine

SMILES

Cc(cc1)ccc1S(c(nnn1c2c3cccc2)c1nc3N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C26H23N7O4S/c1-18-6-12-21(13-7-18)38(36,37)26-25-27-24(22-4-2-3-5-23(22)32(25)29-28-26)31-16-14-30(15-17-31)19-8-10-20(11-9-19)33(34)35/h2-13H,14-17H2,1H3

InChI Key

MIIGQHWVVIVRQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.54

Polar Surface Area

101.770

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E694-0075 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E694-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E694-0075?
Check Price and Availability of E694-0075, 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 E694-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E694-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E694-0075
  • 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 E694-0075 available by request