T408-2031 Screening compound: N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2031 Screening compound: N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2031 Screening compound: N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2031
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-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

T408-2031

Molecular Formula

C21H23FN2O2S (C21 H23 FN2 O2 S)

Compound Name

N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCCC1)=O)c2)NCc(cccc1)c1F

InChI

InChI=1S/C21H23FN2O2S/c22-17-6-2-1-5-15(17)13-23-20(25)14-7-8-18-16(11-14)12-19(27-18)21(26)24-9-3-4-10-24/h1-2,5-6,12,14H,3-4,7-11,13H2,(H,23,25)/t14-/m1/s1

InChI Key

ASPHYEMZMAGXFK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27620396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-3.89

Polar Surface Area

42.605

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

T408-2031 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with T408-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2031?
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What is the minimum amount of T408-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2031
  • 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 T408-2031 available by request