L057-1571 Screening compound: 3-{[1-(4-methoxybenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}-1-(2-phenylethyl)urea

L057-1571 Screening compound: 3-{[1-(4-methoxybenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}-1-(2-phenylethyl)urea
L057-1571 Screening compound: 3-{[1-(4-methoxybenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}-1-(2-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-1571
3-{[1-(4-methoxybenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}-1-(2-phenylethyl)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

L057-1571

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

3-{[1-(4-methoxybenzoyl)-2,3-dihydro-1H-indol-6-yl]methyl}-1-(2-phenylethyl)urea

IUPAC name

3-{[1-(4-methoxybenzoyl)-23-dihydro-1H-indol-6-yl]methyl}-1-(2-phenylethyl)urea

SMILES

COc(cc1)ccc1C(N(CC1)c2c1ccc(CNC(NCCc1ccccc1)=O)c2)=O

InChI

InChI=1S/C26H27N3O3/c1-32-23-11-9-22(10-12-23)25(30)29-16-14-21-8-7-20(17-24(21)29)18-28-26(31)27-15-13-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H2,27,28,31)

InChI Key

QRYCRGOQFLJOKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.58

Polar Surface Area

58.250

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L057-1571 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L057-1571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-1571?
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What is the minimum amount of L057-1571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-1571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-1571
  • 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 L057-1571 available by request