T408-2018 Screening compound: N-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2018 Screening compound: N-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2018 Screening compound: N-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2018
N-(3-methylbutyl)-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

T408-2018

Molecular Formula

C19H28N2O2S (C19 H28 N2 O2 S)

Compound Name

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

IUPAC name

N-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

CC(C)CCNC(C(CC1)Cc2c1sc(C(N1CCCC1)=O)c2)=O

InChI

InChI=1S/C19H28N2O2S/c1-13(2)7-8-20-18(22)14-5-6-16-15(11-14)12-17(24-16)19(23)21-9-3-4-10-21/h12-14H,3-11H2,1-2H3,(H,20,22)/t14-/m1/s1

InChI Key

PTXQTTXCTAYQJI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27620384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.82

Polar Surface Area

42.718

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.40

T408-2018 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 T408-2018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2018?
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What is the minimum amount of T408-2018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2018
  • 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 T408-2018 available by request