L057-0336 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(4-bromo-3-methylphenyl)urea

L057-0336 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(4-bromo-3-methylphenyl)urea
L057-0336 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(4-bromo-3-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0336
3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(4-bromo-3-methylphenyl)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

L057-0336

Molecular Formula

C24H22BrN3O2 (C24 H22 BrN3 O2)

Compound Name

3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(4-bromo-3-methylphenyl)urea

IUPAC name

3-[(1-benzoyl-23-dihydro-1H-indol-6-yl)methyl]-1-(4-bromo-3-methylphenyl)urea

SMILES

Cc(cc(cc1)NC(NCc2cc(N(CC3)C(c4ccccc4)=O)c3cc2)=O)c1Br

InChI

InChI=1S/C24H22BrN3O2/c1-16-13-20(9-10-21(16)25)27-24(30)26-15-17-7-8-18-11-12-28(22(18)14-17)23(29)19-5-3-2-4-6-19/h2-10,13-14H,11-12,15H2,1H3,(H2,26,27,30)

InChI Key

WVIMMVFEZDZTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.960

Water Solubility, LogSw

-4.50

Polar Surface Area

49.542

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L057-0336 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 L057-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0336?
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What is the minimum amount of L057-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0336
  • 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 L057-0336 available by request