T408-2196 Screening compound: N-cycloheptyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2196 Screening compound: N-cycloheptyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2196 Screening compound: N-cycloheptyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2196
N-cycloheptyl-2-(morpholine-4-carbonyl)-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

T408-2196

Molecular Formula

C21H30N2O3S (C21 H30 N2 O3 S)

Compound Name

N-cycloheptyl-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

N-cycloheptyl-2-(morpholine-4-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCOCC1)=O)c2)NC1CCCCCC1

InChI

InChI=1S/C21H30N2O3S/c24-20(22-17-5-3-1-2-4-6-17)15-7-8-18-16(13-15)14-19(27-18)21(25)23-9-11-26-12-10-23/h14-15,17H,1-13H2,(H,22,24)/t15-/m1/s1

InChI Key

BVYJEABYDVNMJE-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.66

Polar Surface Area

50.204

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

T408-2196 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T408-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2196?
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What is the minimum amount of T408-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2196
  • 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 T408-2196 available by request