0177-0010 Screening compound: 1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7-triazonane

0177-0010 Screening compound: 1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7-triazonane
0177-0010 Screening compound: 1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7-triazonane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0010
1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7-triazonane

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

0177-0010

Molecular Formula

C27H33N3O6S3 (C27 H33 N3 O6 S3)

Compound Name

1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7-triazonane

IUPAC name

147-tris(4-methylbenzenesulfonyl)-147-triazonane

SMILES

Cc(cc1)ccc1S(N(CCN(CC1)S(c2ccc(C)cc2)(=O)=O)CCN1S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C27H33N3O6S3/c1-22-4-10-25(11-5-22)37(31,32)28-16-18-29(38(33,34)26-12-6-23(2)7-13-26)20-21-30(19-17-28)39(35,36)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3

InChI Key

BLZOXONTWBENEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00184056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.77

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.54

Polar Surface Area

95.318

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-9.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0177-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0010?
Check Price and Availability of 0177-0010, 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 0177-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0010
  • 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 0177-0010 available by request