L491-0068 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]urea

L491-0068 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]urea
L491-0068 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L491-0068
1-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]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

L491-0068

Molecular Formula

C22H16ClN3O3 (C22 H16 ClN3 O3)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]urea

SMILES

O=C(Nc1c(-c(cc2)ccc2Cl)[nH]c2c1cccc2)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H16ClN3O3/c23-14-7-5-13(6-8-14)20-21(16-3-1-2-4-17(16)25-20)26-22(27)24-15-9-10-18-19(11-15)29-12-28-18/h1-11,25H,12H2,(H2,24,26,27)

InChI Key

MBDBSVQNEDDXHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.274

Distribution Coefficient, logD

5.274

Water Solubility, LogSw

-6.11

Polar Surface Area

58.109

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L491-0068 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L491-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L491-0068?
Check Price and Availability of L491-0068, 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 L491-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L491-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L491-0068
  • 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 L491-0068 available by request