L057-0711 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[3-(methylsulfanyl)phenyl]urea

L057-0711 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[3-(methylsulfanyl)phenyl]urea
L057-0711 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0711
3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-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

L057-0711

Molecular Formula

C25H25N3O2S (C25 H25 N3 O2 S)

Compound Name

3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-[(1-benzoyl-2-methyl-23-dihydro-1H-indol-6-yl)methyl]-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CC(C1)N(C(c2ccccc2)=O)c2c1ccc(CNC(Nc1cccc(SC)c1)=O)c2

InChI

InChI=1S/C25H25N3O2S/c1-17-13-20-12-11-18(14-23(20)28(17)24(29)19-7-4-3-5-8-19)16-26-25(30)27-21-9-6-10-22(15-21)31-2/h3-12,14-15,17H,13,16H2,1-2H3,(H2,26,27,30)/t17-/m1/s1

InChI Key

NSLKBGWJHQNPTI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27227160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

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

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.28

Polar Surface Area

48.481

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

L057-0711 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L057-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0711?
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What is the minimum amount of L057-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0711
  • 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 L057-0711 available by request