L398-0249 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide

L398-0249 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide
L398-0249 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0249
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-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

L398-0249

Molecular Formula

C22H17N3O4S2 (C22 H17 N3 O4 S2)

Compound Name

N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide

IUPAC name

N-[4-({[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-methylthiophene-2-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2SCc2nnc(-c(cc3)cc4c3OCO4)o2)=O)scc1

InChI

InChI=1S/C22H17N3O4S2/c1-13-8-9-30-20(13)21(26)23-15-3-5-16(6-4-15)31-11-19-24-25-22(29-19)14-2-7-17-18(10-14)28-12-27-17/h2-10H,11-12H2,1H3,(H,23,26)

InChI Key

QRZNAOMKXOKMHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.44

Polar Surface Area

71.373

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L398-0249 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with L398-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0249?
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What is the minimum amount of L398-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0249
  • 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 L398-0249 available by request