L991-0039 Screening compound: N-{5-[(1Z)-2-[3-(cycloheptylsulfamoyl)-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide

L991-0039 Screening compound: N-{5-[(1Z)-2-[3-(cycloheptylsulfamoyl)-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide
L991-0039 Screening compound: N-{5-[(1Z)-2-[3-(cycloheptylsulfamoyl)-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L991-0039
N-{5-[(1Z)-2-[3-(cycloheptylsulfamoyl)-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

L991-0039

Molecular Formula

C22H29N3O4S (C22 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1c(/C=C\c2cc(S(NC3CCCCCC3)(=O)=O)c(C)cc2)onc1C)=O

InChI

InChI=1S/C22H29N3O4S/c1-15-10-11-18(12-13-20-22(23-17(3)26)16(2)24-29-20)14-21(15)30(27,28)25-19-8-6-4-5-7-9-19/h10-14,19,25H,4-9H2,1-3H3,(H,23,26)

InChI Key

WMIAVKHHRPCTCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.88

Polar Surface Area

85.648

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with L991-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L991-0039?
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What is the minimum amount of L991-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L991-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L991-0039
  • 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 L991-0039 available by request