T408-1695 Screening compound: 5-(azepane-1-carbonyl)-N,N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

T408-1695 Screening compound: 5-(azepane-1-carbonyl)-N,N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
T408-1695 Screening compound: 5-(azepane-1-carbonyl)-N,N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1695
5-(azepane-1-carbonyl)-N,N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-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

T408-1695

Molecular Formula

C20H30N2O2S (C20 H30 N2 O2 S)

Compound Name

5-(azepane-1-carbonyl)-N,N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

IUPAC name

5-(azepane-1-carbonyl)-NN-diethyl-4567-tetrahydro-1-benzothiophene-2-carboxamide

SMILES

CCN(CC)C(c1cc(CC(CC2)C(N3CCCCCC3)=O)c2s1)=O

InChI

InChI=1S/C20H30N2O2S/c1-3-21(4-2)20(24)18-14-16-13-15(9-10-17(16)25-18)19(23)22-11-7-5-6-8-12-22/h14-15H,3-13H2,1-2H3/t15-/m1/s1

InChI Key

YIDFDNOSDQUDJR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.707

Distribution Coefficient, logD

3.707

Water Solubility, LogSw

-3.78

Polar Surface Area

34.089

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

T408-1695 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T408-1695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1695?
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What is the minimum amount of T408-1695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1695
  • 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 T408-1695 available by request