0177-0005 Screening compound: 4-methyl-N-(2-{13-[2-(4-methylbenzenesulfonamido)ethyl]-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl}ethyl)benzene-1-sulfonamide

0177-0005 Screening compound: 4-methyl-N-(2-{13-[2-(4-methylbenzenesulfonamido)ethyl]-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl}ethyl)benzene-1-sulfonamide
0177-0005 Screening compound: 4-methyl-N-(2-{13-[2-(4-methylbenzenesulfonamido)ethyl]-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0177-0005
4-methyl-N-(2-{13-[2-(4-methylbenzenesulfonamido)ethyl]-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl}ethyl)benzene-1-sulfonamide

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

0177-0005

Molecular Formula

C28H44N4O7S2 (C28 H44 N4 O7 S2)

Compound Name

4-methyl-N-(2-{13-[2-(4-methylbenzenesulfonamido)ethyl]-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl}ethyl)benzene-1-sulfonamide

IUPAC name

4-methyl-N-(2-{13-[2-(4-methylbenzenesulfonamido)ethyl]-1410-trioxa-713-diazacyclopentadecan-7-yl}ethyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCN1CCOCCOCCN(CCNS(c2ccc(C)cc2)(=O)=O)CCOCC1)(=O)=O

InChI

InChI=1S/C28H44N4O7S2/c1-25-3-7-27(8-4-25)40(33,34)29-11-13-31-15-19-37-20-16-32(18-22-39-24-23-38-21-17-31)14-12-30-41(35,36)28-9-5-26(2)6-10-28/h3-10,29-30H,11-24H2,1-2H3

InChI Key

LVWWVWJYOFTVQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00624396

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

612.81

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.748

Water Solubility, LogSw

-3.15

Polar Surface Area

115.268

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with 0177-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0177-0005?
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What is the minimum amount of 0177-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0177-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0177-0005
  • 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 0177-0005 available by request