D718-0092 Screening compound: 3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylurea

D718-0092 Screening compound: 3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylurea
D718-0092 Screening compound: 3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0092
3-[2-(5-chloro-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

D718-0092

Molecular Formula

C17H16ClN3O (C17 H16 ClN3 O)

Compound Name

3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylurea

IUPAC name

3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-phenylurea

SMILES

O=C(NCCc1c[nH]c(cc2)c1cc2Cl)Nc1ccccc1

InChI

InChI=1S/C17H16ClN3O/c18-13-6-7-16-15(10-13)12(11-20-16)8-9-19-17(22)21-14-4-2-1-3-5-14/h1-7,10-11,20H,8-9H2,(H2,19,21,22)

InChI Key

ACGSRYMRMSSSMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.79

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

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.36

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

D718-0092 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D718-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0092?
Check Price and Availability of D718-0092, 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 D718-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0092
  • 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 D718-0092 available by request