L790-0131 Screening compound: 2-(3-methoxyphenyl)-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

L790-0131 Screening compound: 2-(3-methoxyphenyl)-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
L790-0131 Screening compound: 2-(3-methoxyphenyl)-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0131
2-(3-methoxyphenyl)-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

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

L790-0131

Molecular Formula

C21H19N5O3S2 (C21 H19 N5 O3 S2)

Compound Name

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

IUPAC name

2-(3-methoxyphenyl)-N-[5-({[5-(2-methylphenyl)-134-oxadiazol-2-yl]methyl}sulfanyl)-134-thiadiazol-2-yl]acetamide

SMILES

Cc(cccc1)c1-c1nnc(CSc2nnc(NC(Cc3cc(OC)ccc3)=O)s2)o1

InChI

InChI=1S/C21H19N5O3S2/c1-13-6-3-4-9-16(13)19-24-23-18(29-19)12-30-21-26-25-20(31-21)22-17(27)11-14-7-5-8-15(10-14)28-2/h3-10H,11-12H2,1-2H3,(H,22,25,27)

InChI Key

ZCDRENLPSVWKBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.45

Polar Surface Area

83.476

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L790-0131 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 L790-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0131?
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What is the minimum amount of L790-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0131
  • 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 L790-0131 available by request