T408-0393 Screening compound: N-(4-chlorophenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-0393 Screening compound: N-(4-chlorophenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-0393 Screening compound: N-(4-chlorophenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0393
N-(4-chlorophenyl)-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

T408-0393

Molecular Formula

C20H21ClN2O3S (C20 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCOCC1)=O)c2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C20H21ClN2O3S/c21-15-2-4-16(5-3-15)22-19(24)13-1-6-17-14(11-13)12-18(27-17)20(25)23-7-9-26-10-8-23/h2-5,12-13H,1,6-11H2,(H,22,24)/t13-/m0/s1

InChI Key

CSTVFZPSKWXFIR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27620067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.92

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

3.448

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.89

Polar Surface Area

48.825

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T408-0393 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 T408-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0393?
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What is the minimum amount of T408-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0393
  • 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 T408-0393 available by request