L790-0269 Screening compound: N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylthiophene-2-carboxamide

L790-0269 Screening compound: N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylthiophene-2-carboxamide
L790-0269 Screening compound: N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylthiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0269
N-[5-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-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

L790-0269

Molecular Formula

C18H13N5O4S3 (C18 H13 N5 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2nnc(SCc3nnc(-c(cc4)cc5c4OCO5)o3)s2)=O)scc1

InChI

InChI=1S/C18H13N5O4S3/c1-9-4-5-28-14(9)15(24)19-17-22-23-18(30-17)29-7-13-20-21-16(27-13)10-2-3-11-12(6-10)26-8-25-11/h2-6H,7-8H2,1H3,(H,19,22,24)

InChI Key

BMUOMDSGTFDKLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.30

Polar Surface Area

94.279

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L790-0269 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L790-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0269?
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What is the minimum amount of L790-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0269
  • 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 L790-0269 available by request