0177-0007 Screening compound: 10,16-bis(4-methylbenzenesulfonyl)-1,4,7,13-tetraoxa-10,16-diazacyclooctadecane

0177-0007 Screening compound: 10,16-bis(4-methylbenzenesulfonyl)-1,4,7,13-tetraoxa-10,16-diazacyclooctadecane
0177-0007 Screening compound: 10,16-bis(4-methylbenzenesulfonyl)-1,4,7,13-tetraoxa-10,16-diazacyclooctadecane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0007
10,16-bis(4-methylbenzenesulfonyl)-1,4,7,13-tetraoxa-10,16-diazacyclooctadecane

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

0177-0007

Molecular Formula

C26H38N2O8S2 (C26 H38 N2 O8 S2)

Compound Name

10,16-bis(4-methylbenzenesulfonyl)-1,4,7,13-tetraoxa-10,16-diazacyclooctadecane

IUPAC name

1016-bis(4-methylbenzenesulfonyl)-14713-tetraoxa-1016-diazacyclooctadecane

SMILES

Cc(cc1)ccc1S(N(CCOCC1)CCOCCOCCOCCN1S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C26H38N2O8S2/c1-23-3-7-25(8-4-23)37(29,30)27-11-15-33-16-12-28(38(31,32)26-9-5-24(2)6-10-26)14-18-35-20-22-36-21-19-34-17-13-27/h3-10H,11-22H2,1-2H3

InChI Key

OFDIIQPNRBIGAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.73

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-3.17

Polar Surface Area

95.433

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

0177-0007 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 0177-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0007?
Check Price and Availability of 0177-0007, 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 0177-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0007
  • 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 0177-0007 available by request