T408-1372 Screening compound: N,N-dimethyl-2-(morpholinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-1372 Screening compound: N,N-dimethyl-2-(morpholinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-1372 Screening compound: N,N-dimethyl-2-(morpholinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1372
N,N-dimethyl-2-(morpholinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-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

T408-1372

Molecular Formula

C16H22N2O3S (C16 H22 N2 O3 S)

Compound Name

N,N-dimethyl-2-(morpholinocarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

NN-dimethyl-2-(morpholine-4-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

CN(C)C(C(CC1)Cc2c1sc(C(N1CCOCC1)=O)c2)=O

InChI

InChI=1S/C16H22N2O3S/c1-17(2)15(19)11-3-4-13-12(9-11)10-14(22-13)16(20)18-5-7-21-8-6-18/h10-11H,3-9H2,1-2H3/t11-/m1/s1

InChI Key

HKIAPTGBZVIBAM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27620271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.122

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-1.97

Polar Surface Area

41.735

Acid Dissociation Constant (pKa)

19.90

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

T408-1372 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 T408-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1372?
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What is the minimum amount of T408-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1372
  • 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 T408-1372 available by request