0177-0008 Screening compound: 1,4,7,10-tetrakis(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

0177-0008 Screening compound: 1,4,7,10-tetrakis(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane
0177-0008 Screening compound: 1,4,7,10-tetrakis(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0008
1,4,7,10-tetrakis(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

0177-0008

Molecular Formula

C36H44N4O8S4 (C36 H44 N4 O8 S4)

Compound Name

1,4,7,10-tetrakis(4-methylbenzenesulfonyl)-1,4,7,10-tetraazacyclododecane

IUPAC name

14710-tetrakis(4-methylbenzenesulfonyl)-14710-tetraazacyclododecane

SMILES

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

InChI

InChI=1S/C36H44N4O8S4/c1-29-5-13-33(14-6-29)49(41,42)37-21-23-38(50(43,44)34-15-7-30(2)8-16-34)25-27-40(52(47,48)36-19-11-32(4)12-20-36)28-26-39(24-22-37)51(45,46)35-17-9-31(3)10-18-35/h5-20H,21-28H2,1-4H3

InChI Key

SKTWVKMQYXXWNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

789.03

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.329

Distribution Coefficient, logD

6.329

Water Solubility, LogSw

-5.67

Polar Surface Area

126.837

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0177-0008 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0177-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0008?
Check Price and Availability of 0177-0008, 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 0177-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0008
  • 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 0177-0008 available by request