L790-0113 Screening compound: 3-chloro-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

L790-0113 Screening compound: 3-chloro-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
L790-0113 Screening compound: 3-chloro-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L790-0113
3-chloro-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]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

L790-0113

Molecular Formula

C19H14ClN5O2S2 (C19 H14 ClN5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nnc(CSc2nnc(NC(c3cccc(Cl)c3)=O)s2)o1

InChI

InChI=1S/C19H14ClN5O2S2/c1-11-5-2-3-8-14(11)17-23-22-15(27-17)10-28-19-25-24-18(29-19)21-16(26)12-6-4-7-13(20)9-12/h2-9H,10H2,1H3,(H,21,24,26)

InChI Key

MZNZYVDIOYCTDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.94

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

4.982

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.97

Polar Surface Area

76.145

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

L790-0113 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 L790-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0113?
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What is the minimum amount of L790-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0113
  • 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 L790-0113 available by request