L491-0016 Screening compound: 3-[2-(4-chlorophenyl)-1H-indol-3-yl]-1-(3,4-dimethoxyphenyl)urea

L491-0016 Screening compound: 3-[2-(4-chlorophenyl)-1H-indol-3-yl]-1-(3,4-dimethoxyphenyl)urea
L491-0016 Screening compound: 3-[2-(4-chlorophenyl)-1H-indol-3-yl]-1-(3,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L491-0016
3-[2-(4-chlorophenyl)-1H-indol-3-yl]-1-(3,4-dimethoxyphenyl)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

L491-0016

Molecular Formula

C23H20ClN3O3 (C23 H20 ClN3 O3)

Compound Name

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

IUPAC name

3-[2-(4-chlorophenyl)-1H-indol-3-yl]-1-(34-dimethoxyphenyl)urea

SMILES

COc(ccc(NC(Nc1c(-c(cc2)ccc2Cl)[nH]c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C23H20ClN3O3/c1-29-19-12-11-16(13-20(19)30-2)25-23(28)27-22-17-5-3-4-6-18(17)26-21(22)14-7-9-15(24)10-8-14/h3-13,26H,1-2H3,(H2,25,27,28)

InChI Key

PLLIGSNNFCSCDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-5.30

Polar Surface Area

56.255

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L491-0016 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L491-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L491-0016?
Check Price and Availability of L491-0016, 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 L491-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L491-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L491-0016
  • 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 L491-0016 available by request