L790-0158 Screening compound: N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide

L790-0158 Screening compound: N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide
L790-0158 Screening compound: N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0158
N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide

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

L790-0158

Molecular Formula

C22H21N5O3S2 (C22 H21 N5 O3 S2)

Compound Name

N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide

IUPAC name

N-[5-({[5-(2-methylphenyl)-134-oxadiazol-2-yl]methyl}sulfanyl)-134-thiadiazol-2-yl]-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc1nnc(SCc2nnc(-c3c(C)cccc3)o2)s1)=O

InChI

InChI=1S/C22H21N5O3S2/c1-3-12-29-16-10-8-15(9-11-16)19(28)23-21-26-27-22(32-21)31-13-18-24-25-20(30-18)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,23,26,28)

InChI Key

ZHIWQOKODRVEKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.11

Polar Surface Area

83.563

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L790-0158 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 L790-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0158?
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What is the minimum amount of L790-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0158
  • 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 L790-0158 available by request