D319-0099 Screening compound: N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide

D319-0099 Screening compound: N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide
D319-0099 Screening compound: N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0099
N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-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

D319-0099

Molecular Formula

C20H20N4O2S2 (C20 H20 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1csnn1)Nc1c(C(NCCc2ccccc2)=O)c(CCCC2)c2s1

InChI

InChI=1S/C20H20N4O2S2/c25-18(15-12-27-24-23-15)22-20-17(14-8-4-5-9-16(14)28-20)19(26)21-11-10-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,21,26)(H,22,25)

InChI Key

QKFNRMYSABZAPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

1.276

Water Solubility, LogSw

-3.70

Polar Surface Area

68.905

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D319-0099 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Protein Kinases Inhibitors Library (36801 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D319-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0099?
Check Price and Availability of D319-0099, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D319-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0099
  • 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 D319-0099 available by request