L991-0032 Screening compound: N-{5-[(1Z)-2-(3-{[(2-chlorophenyl)methyl]sulfamoyl}-4-methylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

L991-0032 Screening compound: N-{5-[(1Z)-2-(3-{[(2-chlorophenyl)methyl]sulfamoyl}-4-methylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide
L991-0032 Screening compound: N-{5-[(1Z)-2-(3-{[(2-chlorophenyl)methyl]sulfamoyl}-4-methylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L991-0032
N-{5-[(1Z)-2-(3-{[(2-chlorophenyl)methyl]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

L991-0032

Molecular Formula

C22H22ClN3O4S (C22 H22 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1c(/C=C\c2cc(S(NCc(cccc3)c3Cl)(=O)=O)c(C)cc2)onc1C)=O

InChI

InChI=1S/C22H22ClN3O4S/c1-14-8-9-17(10-11-20-22(25-16(3)27)15(2)26-30-20)12-21(14)31(28,29)24-13-18-6-4-5-7-19(18)23/h4-12,24H,13H2,1-3H3,(H,25,27)

InChI Key

LBMADZUFBQVCCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.88

Polar Surface Area

85.379

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L991-0032 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L991-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L991-0032?
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What is the minimum amount of L991-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L991-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L991-0032
  • 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 L991-0032 available by request