D319-0401 Screening compound: N~5~-(3-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide

D319-0401 Screening compound: N~5~-(3-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
D319-0401 Screening compound: N~5~-(3-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0401
N~5~-(3-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-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

D319-0401

Molecular Formula

C16H18N4O4S3 (C16 H18 N4 O4 S3)

Compound Name

N~5~-(3-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide

IUPAC name

N-{3-[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]-4H5H6H-cyclopenta[b]thiophen-2-yl}-4-methyl-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(Nc2c(C(NC(CC3)CS3(=O)=O)=O)c(CCC3)c3s2)=O)snn1

InChI

InChI=1S/C16H18N4O4S3/c1-8-13(26-20-19-8)15(22)18-16-12(10-3-2-4-11(10)25-16)14(21)17-9-5-6-27(23,24)7-9/h9H,2-7H2,1H3,(H,17,21)(H,18,22)/t9-/m1/s1

InChI Key

GNUNUOGSAMEZCR-SECBINFHSA-N

MDL Number (MFCD)

MFCD08549449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.682

Distribution Coefficient, logD

-2.416

Water Solubility, LogSw

-1.97

Polar Surface Area

98.430

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D319-0401 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D319-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0401?
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What is the minimum amount of D319-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0401
  • 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 D319-0401 available by request