D319-0327 Screening compound: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide

D319-0327 Screening compound: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
D319-0327 Screening compound: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0327
N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide

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

D319-0327

Molecular Formula

C16H20N4O3S2 (C16 H20 N4 O3 S2)

Compound Name

N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide

IUPAC name

N-{3-[(2-methoxyethyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}-4-methyl-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(Nc2c(C(NCCOC)=O)c(CCCC3)c3s2)=O)snn1

InChI

InChI=1S/C16H20N4O3S2/c1-9-13(25-20-19-9)15(22)18-16-12(14(21)17-7-8-23-2)10-5-3-4-6-11(10)24-16/h3-8H2,1-2H3,(H,17,21)(H,18,22)

InChI Key

MMTFYFKDAAXYHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.952

Distribution Coefficient, logD

-1.125

Water Solubility, LogSw

-2.42

Polar Surface Area

78.357

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D319-0327 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D319-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0327?
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What is the minimum amount of D319-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0327
  • 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 D319-0327 available by request