T408-2159 Screening compound: 2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

T408-2159 Screening compound: 2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
T408-2159 Screening compound: 2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-2159
2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-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

T408-2159

Molecular Formula

C21H26N2O2S2 (C21 H26 N2 O2 S2)

Compound Name

2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

IUPAC name

2-(azepane-1-carbonyl)-N-[(thiophen-2-yl)methyl]-4567-tetrahydro-1-benzothiophene-5-carboxamide

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCCCCC1)=O)c2)NCc1cccs1

InChI

InChI=1S/C21H26N2O2S2/c24-20(22-14-17-6-5-11-26-17)15-7-8-18-16(12-15)13-19(27-18)21(25)23-9-3-1-2-4-10-23/h5-6,11,13,15H,1-4,7-10,12,14H2,(H,22,24)/t15-/m1/s1

InChI Key

YMHYBUXZCZJBAA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.58

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

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.07

Polar Surface Area

43.588

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

T408-2159 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 T408-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-2159?
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What is the minimum amount of T408-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-2159
  • 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 T408-2159 available by request