0177-0071 Screening compound: 2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate

0177-0071 Screening compound: 2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate
0177-0071 Screening compound: 2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0071
2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate

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

0177-0071

Molecular Formula

C25H29NO8S3 (C25 H29 NO8 S3)

Compound Name

2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate

IUPAC name

2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(N(CCOS(c1ccc(C)cc1)(=O)=O)CCOS(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C25H29NO8S3/c1-20-4-10-23(11-5-20)35(27,28)26(16-18-33-36(29,30)24-12-6-21(2)7-13-24)17-19-34-37(31,32)25-14-8-22(3)9-15-25/h4-15H,16-19H2,1-3H3

InChI Key

VJDZYMIEDBLSDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00026000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.71

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.18

Polar Surface Area

105.856

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

-7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 0177-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0071?
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What is the minimum amount of 0177-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0071
  • 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 0177-0071 available by request