L439-0121 Screening compound: 3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(5-chloro-2,4-dimethoxyphenyl)urea

L439-0121 Screening compound: 3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(5-chloro-2,4-dimethoxyphenyl)urea
L439-0121 Screening compound: 3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(5-chloro-2,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L439-0121
3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(5-chloro-2,4-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

L439-0121

Molecular Formula

C24H22ClN3O4 (C24 H22 ClN3 O4)

Compound Name

3-(1-benzoyl-2,3-dihydro-1H-indol-6-yl)-1-(5-chloro-2,4-dimethoxyphenyl)urea

IUPAC name

3-(1-benzoyl-23-dihydro-1H-indol-6-yl)-1-(5-chloro-24-dimethoxyphenyl)urea

SMILES

COc(c(NC(Nc1cc(N(CC2)C(c3ccccc3)=O)c2cc1)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C24H22ClN3O4/c1-31-21-14-22(32-2)19(13-18(21)25)27-24(30)26-17-9-8-15-10-11-28(20(15)12-17)23(29)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H2,26,27,30)

InChI Key

AGPMHKRWULTDAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-5.12

Polar Surface Area

62.783

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L439-0121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L439-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L439-0121?
Check Price and Availability of L439-0121, 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 L439-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L439-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L439-0121
  • 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 L439-0121 available by request