T408-0693 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-0693 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-0693 Screening compound: N-[3-(4-methylpiperidin-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-0693
N-[3-(4-methylpiperidin-1-yl)propyl]-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

T408-0693

Molecular Formula

C23H35N3O2S (C23 H35 N3 O2 S)

Compound Name

N-[3-(4-methylpiperidin-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

N-[3-(4-methylpiperidin-1-yl)propyl]-2-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

CC1CCN(CCCNC(C(CC2)Cc3c2sc(C(N2CCCC2)=O)c3)=O)CC1

InChI

InChI=1S/C23H35N3O2S/c1-17-7-13-25(14-8-17)10-4-9-24-22(27)18-5-6-20-19(15-18)16-21(29-20)23(28)26-11-2-3-12-26/h16-18H,2-15H2,1H3,(H,24,27)/t18-/m1/s1

InChI Key

JFDMEMATRYOBNZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27620171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

0.829

Water Solubility, LogSw

-3.49

Polar Surface Area

46.429

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.90

T408-0693 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with T408-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-0693?
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What is the minimum amount of T408-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-0693
  • 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 T408-0693 available by request