D012-0401 Screening compound: 3-[2-(1H-indol-3-yl)ethyl]-1-phenylurea

D012-0401 Screening compound: 3-[2-(1H-indol-3-yl)ethyl]-1-phenylurea
D012-0401 Screening compound: 3-[2-(1H-indol-3-yl)ethyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0401
3-[2-(1H-indol-3-yl)ethyl]-1-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

D012-0401

Molecular Formula

C17H17N3O (C17 H17 N3 O)

Compound Name

3-[2-(1H-indol-3-yl)ethyl]-1-phenylurea

IUPAC name

3-[2-(1H-indol-3-yl)ethyl]-1-phenylurea

SMILES

O=C(NCCc1c[nH]c2c1cccc2)Nc1ccccc1

InChI

InChI=1S/C17H17N3O/c21-17(20-14-6-2-1-3-7-14)18-11-10-13-12-19-16-9-5-4-8-15(13)16/h1-9,12,19H,10-11H2,(H2,18,20,21)

InChI Key

ZGQABPLJNQKODP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00106915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.34

Polar Surface Area

43.576

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D012-0401 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with D012-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0401?
Check Price and Availability of D012-0401, 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 D012-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0401
  • 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 D012-0401 available by request