L790-0109 Screening compound: 3,4-dimethoxy-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

L790-0109 Screening compound: 3,4-dimethoxy-N-[5-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
L790-0109 Screening compound: 3,4-dimethoxy-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 L790-0109
3,4-dimethoxy-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

L790-0109

Molecular Formula

C21H19N5O4S2 (C21 H19 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nnc(CSc2nnc(NC(c(cc3)cc(OC)c3OC)=O)s2)o1

InChI

InChI=1S/C21H19N5O4S2/c1-12-6-4-5-7-14(12)19-24-23-17(30-19)11-31-21-26-25-20(32-21)22-18(27)13-8-9-15(28-2)16(10-13)29-3/h4-10H,11H2,1-3H3,(H,22,25,27)

InChI Key

XVKMZLZZBQSTJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-3.98

Polar Surface Area

91.406

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L790-0109 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 L790-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L790-0109?
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What is the minimum amount of L790-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L790-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L790-0109
  • 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 L790-0109 available by request