4470-0774 Screening compound: 16-(4-methylbenzenesulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione

4470-0774 Screening compound: 16-(4-methylbenzenesulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione
4470-0774 Screening compound: 16-(4-methylbenzenesulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4470-0774
16-(4-methylbenzenesulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione

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

4470-0774

Molecular Formula

C19H29N3O7S (C19 H29 N3 O7 S)

Compound Name

16-(4-methylbenzenesulfonyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-3,11-dione

IUPAC name

16-(4-methylbenzenesulfonyl)-1713-trioxa-41016-triazacyclooctadecane-311-dione

SMILES

Cc(cc1)ccc1S(N(CCOCC(NCCOCCN1)=O)CCOCC1=O)(=O)=O

InChI

InChI=1S/C19H29N3O7S/c1-16-2-4-17(5-3-16)30(25,26)22-8-12-28-14-18(23)20-6-10-27-11-7-21-19(24)15-29-13-9-22/h2-5H,6-15H2,1H3,(H,20,23)(H,21,24)

InChI Key

BBSLHFGFTRBGNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01112114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.005

Distribution Coefficient, logD

-1.005

Water Solubility, LogSw

-2.18

Polar Surface Area

107.049

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with 4470-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4470-0774?
Check Price and Availability of 4470-0774, 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 4470-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4470-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4470-0774
  • 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 4470-0774 available by request