V001-3661 Screening compound: 1-(2-oxoazepan-3-yl)-3-phenylurea

V001-3661 Screening compound: 1-(2-oxoazepan-3-yl)-3-phenylurea
V001-3661 Screening compound: 1-(2-oxoazepan-3-yl)-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3661
1-(2-oxoazepan-3-yl)-3-phenylurea

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

V001-3661

Molecular Formula

C13H17N3O2 (C13 H17 N3 O2)

Compound Name

1-(2-oxoazepan-3-yl)-3-phenylurea

IUPAC name

1-(2-oxoazepan-3-yl)-3-phenylurea

SMILES

O=C(NC(CCCCN1)C1=O)Nc1ccccc1

InChI

InChI=1S/C13H17N3O2/c17-12-11(8-4-5-9-14-12)16-13(18)15-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,17)(H2,15,16,18)/t11-/m0/s1

InChI Key

UAHKLTCJHGNNFB-NSHDSACASA-N

MDL Number (MFCD)

MFCD00102972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.124

Distribution Coefficient, logD

1.124

Water Solubility, LogSw

-1.75

Polar Surface Area

59.390

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V001-3661 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V001-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3661?
Check Price and Availability of V001-3661, 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 V001-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3661
  • 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 V001-3661 available by request