L957-1599 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

L957-1599 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
L957-1599 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-1599
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

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

L957-1599

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-5-[4-(dimethylsulfamoyl)phenyl]-134-oxadiazole-2-carboxamide

SMILES

CN(C)S(c(cc1)ccc1-c1nnc(C(NCCC2=CCCCC2)=O)o1)(=O)=O

InChI

InChI=1S/C19H24N4O4S/c1-23(2)28(25,26)16-10-8-15(9-11-16)18-21-22-19(27-18)17(24)20-13-12-14-6-4-3-5-7-14/h6,8-11H,3-5,7,12-13H2,1-2H3,(H,20,24)

InChI Key

DKUXRIRTERFKPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-2.84

Polar Surface Area

88.865

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

L957-1599 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L957-1599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-1599?
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What is the minimum amount of L957-1599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-1599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-1599
  • 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 L957-1599 available by request