T408-1515 Screening compound: 1-[5-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]azepane

T408-1515 Screening compound: 1-[5-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]azepane
T408-1515 Screening compound: 1-[5-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound T408-1515
1-[5-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]azepane

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

T408-1515

Molecular Formula

C20H28N2O2S (C20 H28 N2 O2 S)

Compound Name

1-[5-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]azepane

IUPAC name

1-[5-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophene-2-carbonyl]azepane

SMILES

O=C(C(CC1)Cc2c1sc(C(N1CCCCCC1)=O)c2)N1CCCC1

InChI

InChI=1S/C20H28N2O2S/c23-19(21-11-5-6-12-21)15-7-8-17-16(13-15)14-18(25-17)20(24)22-9-3-1-2-4-10-22/h14-15H,1-13H2/t15-/m1/s1

InChI Key

OODVFGVGPNABML-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27620278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.841

Water Solubility, LogSw

-3.84

Polar Surface Area

35.171

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

T408-1515 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 T408-1515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T408-1515?
Check Price and Availability of T408-1515, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T408-1515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T408-1515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T408-1515
  • 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 T408-1515 available by request