L402-0414 Screening compound: N-(4-methylbenzyl)-N'-[2-(morpholinocarbonyl)-3-phenyl-1H-indol-7-yl]urea

L402-0414 Screening compound: N-(4-methylbenzyl)-N'-[2-(morpholinocarbonyl)-3-phenyl-1H-indol-7-yl]urea
L402-0414 Screening compound: N-(4-methylbenzyl)-N'-[2-(morpholinocarbonyl)-3-phenyl-1H-indol-7-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L402-0414
N-(4-methylbenzyl)-N'-[2-(morpholinocarbonyl)-3-phenyl-1H-indol-7-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

L402-0414

Molecular Formula

C28H28N4O3 (C28 H28 N4 O3)

Compound Name

N-(4-methylbenzyl)-N'-[2-(morpholinocarbonyl)-3-phenyl-1H-indol-7-yl]urea

IUPAC name

1-[(4-methylphenyl)methyl]-3-[2-(morpholine-4-carbonyl)-3-phenyl-1H-indol-7-yl]urea

SMILES

Cc1ccc(CNC(Nc(cccc23)c2[nH]c(C(N2CCOCC2)=O)c3-c2ccccc2)=O)cc1

InChI

InChI=1S/C28H28N4O3/c1-19-10-12-20(13-11-19)18-29-28(34)30-23-9-5-8-22-24(21-6-3-2-4-7-21)26(31-25(22)23)27(33)32-14-16-35-17-15-32/h2-13,31H,14-18H2,1H3,(H2,29,30,34)

InChI Key

XOXMDUUGASEURQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.17

Polar Surface Area

68.341

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

L402-0414 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L402-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L402-0414?
Check Price and Availability of L402-0414, 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 L402-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L402-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L402-0414
  • 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 L402-0414 available by request