L057-0699 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[(4-methylphenyl)methyl]urea

L057-0699 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[(4-methylphenyl)methyl]urea
L057-0699 Screening compound: 3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0699
3-[(1-benzoyl-2-methyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-[(4-methylphenyl)methyl]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

L057-0699

Molecular Formula

C26H27N3O2 (C26 H27 N3 O2)

Compound Name

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

IUPAC name

3-[(1-benzoyl-2-methyl-23-dihydro-1H-indol-6-yl)methyl]-1-[(4-methylphenyl)methyl]urea

SMILES

CC(C1)N(C(c2ccccc2)=O)c2c1ccc(CNC(NCc1ccc(C)cc1)=O)c2

InChI

InChI=1S/C26H27N3O2/c1-18-8-10-20(11-9-18)16-27-26(31)28-17-21-12-13-23-14-19(2)29(24(23)15-21)25(30)22-6-4-3-5-7-22/h3-13,15,19H,14,16-17H2,1-2H3,(H2,27,28,31)/t19-/m1/s1

InChI Key

VOUQHARDKDLNTB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27227151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-3.95

Polar Surface Area

49.803

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

L057-0699 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with L057-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0699?
Check Price and Availability of L057-0699, 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 L057-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0699
  • 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 L057-0699 available by request