8008-1115 Screening compound: 3-chloro-N-{3-[(1E)-1-({2-[N-(4-methylphenyl)methanesulfonamido]acetamido}imino)ethyl]phenyl}benzamide

8008-1115 Screening compound: 3-chloro-N-{3-[(1E)-1-({2-[N-(4-methylphenyl)methanesulfonamido]acetamido}imino)ethyl]phenyl}benzamide
8008-1115 Screening compound: 3-chloro-N-{3-[(1E)-1-({2-[N-(4-methylphenyl)methanesulfonamido]acetamido}imino)ethyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1115
3-chloro-N-{3-[(1E)-1-({2-[N-(4-methylphenyl)methanesulfonamido]acetamido}imino)ethyl]phenyl}benzamide

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

8008-1115

Molecular Formula

C25H25ClN4O4S (C25 H25 ClN4 O4 S)

Compound Name

3-chloro-N-{3-[(1E)-1-({2-[N-(4-methylphenyl)methanesulfonamido]acetamido}imino)ethyl]phenyl}benzamide

IUPAC name

3-chloro-N-{3-[(1E)-1-({2-[N-(4-methylphenyl)methanesulfonamido]acetamido}imino)ethyl]phenyl}benzamide

SMILES

C/C(/c1cccc(NC(c2cccc(Cl)c2)=O)c1)=N\NC(CN(c1ccc(C)cc1)S(C)(=O)=O)=O

InChI

InChI=1S/C25H25ClN4O4S/c1-17-10-12-23(13-11-17)30(35(3,33)34)16-24(31)29-28-18(2)19-6-5-9-22(15-19)27-25(32)20-7-4-8-21(26)14-20/h4-15H,16H2,1-3H3,(H,27,32)(H,29,31)

InChI Key

OAGXHHWUNXYQNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01188064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.68

Polar Surface Area

89.309

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8008-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1115?
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What is the minimum amount of 8008-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1115
  • 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 8008-1115 available by request