D381-0135 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-(prop-2-en-1-yloxy)benzamide

D381-0135 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-(prop-2-en-1-yloxy)benzamide
D381-0135 Screening compound: N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-(prop-2-en-1-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D381-0135
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-(prop-2-en-1-yloxy)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

D381-0135

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-(prop-2-en-1-yloxy)benzamide

IUPAC name

N-[3-(34-dimethoxyphenyl)-124-thiadiazol-5-yl]-4-(prop-2-en-1-yloxy)benzamide

SMILES

COc(ccc(-c1nsc(NC(c(cc2)ccc2OCC=C)=O)n1)c1)c1OC

InChI

InChI=1S/C20H19N3O4S/c1-4-11-27-15-8-5-13(6-9-15)19(24)22-20-21-18(23-28-20)14-7-10-16(25-2)17(12-14)26-3/h4-10,12H,1,11H2,2-3H3,(H,21,22,23,24)

InChI Key

ZGQVFUGNQPGCDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12917251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

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

4.187

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.33

Polar Surface Area

66.596

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D381-0135 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

KRAS-Targeted Library (16000 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D381-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D381-0135?
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What is the minimum amount of D381-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D381-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D381-0135
  • 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 D381-0135 available by request