T408-2214 Screening compound: 2-(morpholine-4-carbonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2214 Screening compound: 2-(morpholine-4-carbonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2214 Screening compound: 2-(morpholine-4-carbonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2214
2-(morpholine-4-carbonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-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

T408-2214

Molecular Formula

C24H30N2O3S (C24 H30 N2 O3 S)

Compound Name

2-(morpholine-4-carbonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

2-(morpholine-4-carbonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

CC(C)c1ccc(CNC(C(CC2)Cc3c2sc(C(N2CCOCC2)=O)c3)=O)cc1

InChI

InChI=1S/C24H30N2O3S/c1-16(2)18-5-3-17(4-6-18)15-25-23(27)19-7-8-21-20(13-19)14-22(30-21)24(28)26-9-11-29-12-10-26/h3-6,14,16,19H,7-13,15H2,1-2H3,(H,25,27)/t19-/m1/s1

InChI Key

PGVTWIINYKHKTC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27620505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-3.80

Polar Surface Area

50.148

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T408-2214 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-2214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2214?
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What is the minimum amount of T408-2214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2214
  • 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 T408-2214 available by request