T831-0386 Screening compound: N-[(1-benzyl-7-oxo-4-azepanyl)methyl]-N'-(3-methoxypropyl)urea

T831-0386 Screening compound: N-[(1-benzyl-7-oxo-4-azepanyl)methyl]-N'-(3-methoxypropyl)urea
T831-0386 Screening compound: N-[(1-benzyl-7-oxo-4-azepanyl)methyl]-N'-(3-methoxypropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound T831-0386
N-[(1-benzyl-7-oxo-4-azepanyl)methyl]-N'-(3-methoxypropyl)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

T831-0386

Molecular Formula

C19H29N3O3 (C19 H29 N3 O3)

Compound Name

N-[(1-benzyl-7-oxo-4-azepanyl)methyl]-N'-(3-methoxypropyl)urea

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-25-13-5-11-20-19(24)21-14-16-8-9-18(23)22(12-10-16)15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H2,20,21,24)/t16-/m1/s1

InChI Key

JCBTUVGNFQBDSP-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31975986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.497

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-2.01

Polar Surface Area

60.868

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.89

T831-0386 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T831-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T831-0386?
Check Price and Availability of T831-0386, 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 T831-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T831-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T831-0386
  • 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 T831-0386 available by request