D381-0169 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-ethoxybenzamide

D381-0169 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-ethoxybenzamide
D381-0169 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0169
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-ethoxybenzamide

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

D381-0169

Molecular Formula

C19H19N3O4S (C19 H19 N3 O4 S)

Compound Name

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-ethoxybenzamide

IUPAC name

N-[3-(34-dimethoxyphenyl)-124-thiadiazol-5-yl]-2-ethoxybenzamide

SMILES

CCOc(cccc1)c1C(Nc1nc(-c(cc2)cc(OC)c2OC)ns1)=O

InChI

InChI=1S/C19H19N3O4S/c1-4-26-14-8-6-5-7-13(14)18(23)21-19-20-17(22-27-19)12-9-10-15(24-2)16(11-12)25-3/h5-11H,4H2,1-3H3,(H,20,21,22,23)

InChI Key

LXPGHHCZECFWTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-4.02

Polar Surface Area

66.388

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D381-0169 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D381-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0169?
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What is the minimum amount of D381-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0169
  • 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 D381-0169 available by request