L409-0072 Screening compound: 3-[1-(2,3-dihydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-1-[3-(methylsulfanyl)phenyl]urea

L409-0072 Screening compound: 3-[1-(2,3-dihydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-1-[3-(methylsulfanyl)phenyl]urea
L409-0072 Screening compound: 3-[1-(2,3-dihydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L409-0072
3-[1-(2,3-dihydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-1-[3-(methylsulfanyl)phenyl]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

L409-0072

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

3-[1-(2,3-dihydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-[1-(23-dihydro-1H-indol-1-yl)-3-methyl-1-oxobutan-2-yl]-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CC(C)C(C(N(CC1)c2c1cccc2)=O)NC(Nc1cccc(SC)c1)=O

InChI

InChI=1S/C21H25N3O2S/c1-14(2)19(20(25)24-12-11-15-7-4-5-10-18(15)24)23-21(26)22-16-8-6-9-17(13-16)27-3/h4-10,13-14,19H,11-12H2,1-3H3,(H2,22,23,26)/t19-/m0/s1

InChI Key

IOKRLDATTSQETG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15126257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.05

Polar Surface Area

49.166

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L409-0072 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L409-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L409-0072?
Check Price and Availability of L409-0072, 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 L409-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L409-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L409-0072
  • 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 L409-0072 available by request