T831-0246 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methoxypropanamide

T831-0246 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methoxypropanamide
T831-0246 Screening compound: N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T831-0246
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methoxypropanamide

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

T831-0246

Molecular Formula

C18H26N2O3 (C18 H26 N2 O3)

Compound Name

N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methoxypropanamide

IUPAC name

N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-3-methoxypropanamide

SMILES

COCCC(NCC(CC1)CCN(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C18H26N2O3/c1-23-12-10-17(21)19-13-15-7-8-18(22)20(11-9-15)14-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,19,21)/t15-/m1/s1

InChI Key

QHVHBGIKWBSJRH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD31979147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.149

Distribution Coefficient, logD

1.149

Water Solubility, LogSw

-1.98

Polar Surface Area

50.280

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

T831-0246 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 T831-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T831-0246?
Check Price and Availability of T831-0246, 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 T831-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T831-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T831-0246
  • 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 T831-0246 available by request