L991-0100 Screening compound: N-{5-[(1Z)-2-{3-[(2,5-dimethoxyphenyl)sulfamoyl]-4-methylphenyl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

L991-0100 Screening compound: N-{5-[(1Z)-2-{3-[(2,5-dimethoxyphenyl)sulfamoyl]-4-methylphenyl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide
L991-0100 Screening compound: N-{5-[(1Z)-2-{3-[(2,5-dimethoxyphenyl)sulfamoyl]-4-methylphenyl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L991-0100
N-{5-[(1Z)-2-{3-[(2,5-dimethoxyphenyl)sulfamoyl]-4-methylphenyl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

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

L991-0100

Molecular Formula

C23H25N3O6S (C23 H25 N3 O6 S)

Compound Name

N-{5-[(1Z)-2-{3-[(2,5-dimethoxyphenyl)sulfamoyl]-4-methylphenyl}ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

IUPAC name

N-{5-[(1Z)-2-{3-[(25-dimethoxyphenyl)sulfamoyl]-4-methylphenyl}ethenyl]-3-methyl-12-oxazol-4-yl}acetamide

SMILES

CC(Nc1c(/C=C\c2cc(S(Nc(cc(cc3)OC)c3OC)(=O)=O)c(C)cc2)onc1C)=O

InChI

InChI=1S/C23H25N3O6S/c1-14-6-7-17(8-10-21-23(24-16(3)27)15(2)25-32-21)12-22(14)33(28,29)26-19-13-18(30-4)9-11-20(19)31-5/h6-13,26H,1-5H3,(H,24,27)

InChI Key

DEQHKBSEPDSDDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

0.958

Water Solubility, LogSw

-3.28

Polar Surface Area

98.746

Acid Dissociation Constant (pKa)

5.68

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L991-0100 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L991-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L991-0100?
Check Price and Availability of L991-0100, 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 L991-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L991-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L991-0100
  • 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 L991-0100 available by request