D381-0170 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-propoxybenzamide

D381-0170 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-propoxybenzamide
D381-0170 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0170
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-propoxybenzamide

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

D381-0170

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-11-27-15-8-6-5-7-14(15)19(24)22-20-21-18(23-28-20)13-9-10-16(25-2)17(12-13)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,22,23,24)

InChI Key

MRNKZGSVIMNZTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.44

Polar Surface Area

66.682

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D381-0170 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D381-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0170?
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What is the minimum amount of D381-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0170
  • 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 D381-0170 available by request