0495-0015 Screening compound: 1-benzyl-4,7,10-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

0495-0015 Screening compound: 1-benzyl-4,7,10-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane
0495-0015 Screening compound: 1-benzyl-4,7,10-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0495-0015
1-benzyl-4,7,10-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

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

0495-0015

Molecular Formula

C36H44N4O6S3 (C36 H44 N4 O6 S3)

Compound Name

1-benzyl-4,7,10-tris(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

IUPAC name

1-benzyl-4710-tris(4-methylbenzenesulfonyl)-14710-tetraazacyclododecane

SMILES

Cc(cc1)ccc1S(N(CCN(Cc1ccccc1)CCN(CC1)S(c2ccc(C)cc2)(=O)=O)CCN1S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C36H44N4O6S3/c1-30-9-15-34(16-10-30)47(41,42)38-23-21-37(29-33-7-5-4-6-8-33)22-24-39(48(43,44)35-17-11-31(2)12-18-35)26-28-40(27-25-38)49(45,46)36-19-13-32(3)14-20-36/h4-20H,21-29H2,1-3H3

InChI Key

OZWGNPVYVRIYRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

724.97

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.159

Distribution Coefficient, logD

6.159

Water Solubility, LogSw

-5.67

Polar Surface Area

98.858

Acid Dissociation Constant (pKa)

28.14

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0495-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0495-0015?
Check Price and Availability of 0495-0015, 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 0495-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0495-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0495-0015
  • 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 0495-0015 available by request