T831-0267 Screening compound: 3-benzyl-1-[(1-benzyl-7-oxoazepan-4-yl)methyl]urea

T831-0267 Screening compound: 3-benzyl-1-[(1-benzyl-7-oxoazepan-4-yl)methyl]urea
T831-0267 Screening compound: 3-benzyl-1-[(1-benzyl-7-oxoazepan-4-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T831-0267
3-benzyl-1-[(1-benzyl-7-oxoazepan-4-yl)methyl]urea

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

T831-0267

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCC(CC1)CCN(Cc2ccccc2)C1=O)NCc1ccccc1

InChI

InChI=1S/C22H27N3O2/c26-21-12-11-19(13-14-25(21)17-20-9-5-2-6-10-20)16-24-22(27)23-15-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H2,23,24,27)/t19-/m1/s1

InChI Key

CNXOJWGKTCHOKV-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31983500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-2.72

Polar Surface Area

52.413

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

T831-0267 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T831-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T831-0267?
Check Price and Availability of T831-0267, 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 T831-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T831-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T831-0267
  • 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 T831-0267 available by request