L991-0687 Screening compound: ethyl 3-{5-[(1Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]-2-methoxybenzenesulfonamido}benzoate

L991-0687 Screening compound: ethyl 3-{5-[(1Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]-2-methoxybenzenesulfonamido}benzoate
L991-0687 Screening compound: ethyl 3-{5-[(1Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]-2-methoxybenzenesulfonamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L991-0687
ethyl 3-{5-[(1Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]-2-methoxybenzenesulfonamido}benzoate

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

L991-0687

Molecular Formula

C24H25N3O7S (C24 H25 N3 O7 S)

Compound Name

ethyl 3-{5-[(1Z)-2-(4-acetamido-3-methyl-1,2-oxazol-5-yl)ethenyl]-2-methoxybenzenesulfonamido}benzoate

IUPAC name

ethyl 3-{5-[(1Z)-2-(4-acetamido-3-methyl-12-oxazol-5-yl)ethenyl]-2-methoxybenzenesulfonamido}benzoate

SMILES

CCOC(c1cccc(NS(c(cc(/C=C\c(onc2C)c2NC(C)=O)cc2)c2OC)(=O)=O)c1)=O

InChI

InChI=1S/C24H25N3O7S/c1-5-33-24(29)18-7-6-8-19(14-18)27-35(30,31)22-13-17(9-11-20(22)32-4)10-12-21-23(25-16(3)28)15(2)26-34-21/h6-14,27H,5H2,1-4H3,(H,25,28)

InChI Key

SIOAEUDOQYNWCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.46

Polar Surface Area

112.654

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with L991-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L991-0687?
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What is the minimum amount of L991-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L991-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L991-0687
  • 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 L991-0687 available by request