T408-0540 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-0540 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-0540 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0540
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

T408-0540

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCCC1)=O)c2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H24N2O4S/c25-21(23-16-4-5-17-18(13-16)28-10-9-27-17)14-3-6-19-15(11-14)12-20(29-19)22(26)24-7-1-2-8-24/h4-5,12-14H,1-3,6-11H2,(H,23,25)/t14-/m1/s1

InChI Key

BWZRDPGDNCWQNL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27620123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.698

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.24

Polar Surface Area

57.106

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

T408-0540 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0540?
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What is the minimum amount of T408-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0540
  • 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 T408-0540 available by request