T408-0298 Screening compound: N2,N2-diethyl-N5-[4-(morpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

T408-0298 Screening compound: N2,N2-diethyl-N5-[4-(morpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
T408-0298 Screening compound: N2,N2-diethyl-N5-[4-(morpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0298
N2,N2-diethyl-N5-[4-(morpholin-4-yl)phenyl]-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

T408-0298

Molecular Formula

C24H31N3O3S (C24 H31 N3 O3 S)

Compound Name

N2,N2-diethyl-N5-[4-(morpholin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

IUPAC name

N2N2-diethyl-N5-[4-(morpholin-4-yl)phenyl]-4567-tetrahydro-1-benzothiophene-25-dicarboxamide

SMILES

CCN(CC)C(c1cc(CC(CC2)C(Nc(cc3)ccc3N3CCOCC3)=O)c2s1)=O

InChI

InChI=1S/C24H31N3O3S/c1-3-26(4-2)24(29)22-16-18-15-17(5-10-21(18)31-22)23(28)25-19-6-8-20(9-7-19)27-11-13-30-14-12-27/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,25,28)/t17-/m1/s1

InChI Key

DQNHPWKODJENAI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27620036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.56

Polar Surface Area

51.562

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T408-0298 in Drug Discovery

Included in Screening Libraries

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 T408-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0298?
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What is the minimum amount of T408-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0298
  • 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 T408-0298 available by request