T831-0235 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2-(1H-indol-3-yl)acetamide

T831-0235 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2-(1H-indol-3-yl)acetamide
T831-0235 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2-(1H-indol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T831-0235
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2-(1H-indol-3-yl)acetamide

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

T831-0235

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2-(1H-indol-3-yl)acetamide

IUPAC name

N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2-(1H-indol-3-yl)acetamide

SMILES

O=C(Cc1c[nH]c2c1cccc2)NCC(CC1)CCN(Cc2ccccc2)C1=O

InChI

InChI=1S/C24H27N3O2/c28-23(14-20-16-25-22-9-5-4-8-21(20)22)26-15-18-10-11-24(29)27(13-12-18)17-19-6-2-1-3-7-19/h1-9,16,18,25H,10-15,17H2,(H,26,28)/t18-/m1/s1

InChI Key

LETCKJGFQKKSBP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD30465031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.20

Polar Surface Area

51.536

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

T831-0235 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with T831-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T831-0235?
Check Price and Availability of T831-0235, 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 T831-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T831-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T831-0235
  • 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 T831-0235 available by request