L790-0139 Screening compound: N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide

L790-0139 Screening compound: N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
L790-0139 Screening compound: N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0139
N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide

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

L790-0139

Molecular Formula

C20H14F3N5O2S2 (C20 H14 F3 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nnc(CSc2nnc(NC(c3ccc(C(F)(F)F)cc3)=O)s2)o1

InChI

InChI=1S/C20H14F3N5O2S2/c1-11-4-2-3-5-14(11)17-26-25-15(30-17)10-31-19-28-27-18(32-19)24-16(29)12-6-8-13(9-7-12)20(21,22)23/h2-9H,10H2,1H3,(H,24,27,29)

InChI Key

LUTIELBTAVYYSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.192

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-4.94

Polar Surface Area

76.145

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L790-0139 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 L790-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0139?
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What is the minimum amount of L790-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0139
  • 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 L790-0139 available by request