G714-0191 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(5-chloro-2-methoxyphenyl)urea

G714-0191 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(5-chloro-2-methoxyphenyl)urea
G714-0191 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(5-chloro-2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G714-0191
3-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(5-chloro-2-methoxyphenyl)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

G714-0191

Molecular Formula

C24H22ClN3O3 (C24 H22 ClN3 O3)

Compound Name

3-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(5-chloro-2-methoxyphenyl)urea

IUPAC name

3-[(1-benzoyl-23-dihydro-1H-indol-5-yl)methyl]-1-(5-chloro-2-methoxyphenyl)urea

SMILES

COc(ccc(Cl)c1)c1NC(NCc(cc1)cc(CC2)c1N2C(c1ccccc1)=O)=O

InChI

InChI=1S/C24H22ClN3O3/c1-31-22-10-8-19(25)14-20(22)27-24(30)26-15-16-7-9-21-18(13-16)11-12-28(21)23(29)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H2,26,27,30)

InChI Key

MSYMDAVUKHJCPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.52

Polar Surface Area

56.475

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G714-0191 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G714-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G714-0191?
Check Price and Availability of G714-0191, 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 G714-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G714-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G714-0191
  • 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 G714-0191 available by request