E722-2588 Screening compound: N3-[4-(AMINOSULFONYL)PHENETHYL]-6

E722-2588 Screening compound: N3-[4-(AMINOSULFONYL)PHENETHYL]-6
E722-2588 Screening compound: N3-[4-(AMINOSULFONYL)PHENETHYL]-6 alternative view

Chemical Structure Depiction of ChemDiv screening compound E722-2588
N3-[4-(AMINOSULFONYL)PHENETHYL]-6

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

E722-2588

Molecular Formula

C20H22N2O3S3 (C20 H22 N2 O3 S3)

Compound Name

N3-[4-(AMINOSULFONYL)PHENETHYL]-6

IUPAC name

n/a

SMILES

NS(c1ccc(CCNC(C(SC2)=Cc3c2c(CCCC2)c2s3)=O)cc1)(=O)=O

InChI

InChI=1S/C20H22N2O3S3/c21-28(24,25)14-7-5-13(6-8-14)9-10-22-20(23)19-11-18-16(12-26-19)15-3-1-2-4-17(15)27-18/h5-8,11H,1-4,9-10,12H2,(H,22,23)(H2,21,24,25)

InChI Key

KLLVLLOGQXFYDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.61

Polar Surface Area

75.956

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E722-2588 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E722-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E722-2588?
Check Price and Availability of E722-2588, 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 E722-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E722-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E722-2588
  • 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 E722-2588 available by request