T408-1014 Screening compound: N2,N2-dimethyl-N5-[2-(thiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-1014 Screening compound: N2,N2-dimethyl-N5-[2-(thiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-1014 Screening compound: N2,N2-dimethyl-N5-[2-(thiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1014
N2,N2-dimethyl-N5-[2-(thiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

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

T408-1014

Molecular Formula

C18H22N2O2S2 (C18 H22 N2 O2 S2)

Compound Name

N2,N2-dimethyl-N5-[2-(thiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-dimethyl-N5-[2-(thiophen-2-yl)ethyl]-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CN(C)C(c1cc(CC(CC2)C(NCCc3cccs3)=O)c2s1)=O

InChI

InChI=1S/C18H22N2O2S2/c1-20(2)18(22)16-11-13-10-12(5-6-15(13)24-16)17(21)19-8-7-14-4-3-9-23-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)/t12-/m1/s1

InChI Key

XMDLPPAFBDIWKV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27620234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.410

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.93

Polar Surface Area

42.451

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

T408-1014 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1014?
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What is the minimum amount of T408-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1014
  • 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 T408-1014 available by request