L957-1719 Screening compound: N~2~-(2-chloro-4-fluorobenzyl)-5-{4-[(dimethylamino)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide

L957-1719 Screening compound: N~2~-(2-chloro-4-fluorobenzyl)-5-{4-[(dimethylamino)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
L957-1719 Screening compound: N~2~-(2-chloro-4-fluorobenzyl)-5-{4-[(dimethylamino)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-1719
N~2~-(2-chloro-4-fluorobenzyl)-5-{4-[(dimethylamino)sulfonyl]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

L957-1719

Molecular Formula

C18H16ClFN4O4S (C18 H16 ClFN4 O4 S)

Compound Name

N~2~-(2-chloro-4-fluorobenzyl)-5-{4-[(dimethylamino)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-[(2-chloro-4-fluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-134-oxadiazole-2-carboxamide

SMILES

CN(C)S(c(cc1)ccc1-c1nnc(C(NCc(ccc(F)c2)c2Cl)=O)o1)(=O)=O

InChI

InChI=1S/C18H16ClFN4O4S/c1-24(2)29(26,27)14-7-4-11(5-8-14)17-22-23-18(28-17)16(25)21-10-12-3-6-13(20)9-15(12)19/h3-9H,10H2,1-2H3,(H,21,25)

InChI Key

XOPRSJQNJFHFFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.829

Water Solubility, LogSw

-3.66

Polar Surface Area

88.831

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

L957-1719 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L957-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-1719?
Check Price and Availability of L957-1719, 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 L957-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-1719
  • 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 L957-1719 available by request