L057-0301 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3-chloro-4-fluorophenyl)urea

L057-0301 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3-chloro-4-fluorophenyl)urea
L057-0301 Screening compound: 3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3-chloro-4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L057-0301
3-[(1-benzoyl-2,3-dihydro-1H-indol-6-yl)methyl]-1-(3-chloro-4-fluorophenyl)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

L057-0301

Molecular Formula

C23H19ClFN3O2 (C23 H19 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccccc1)N(CC1)c2c1ccc(CNC(Nc(cc1)cc(Cl)c1F)=O)c2

InChI

InChI=1S/C23H19ClFN3O2/c24-19-13-18(8-9-20(19)25)27-23(30)26-14-15-6-7-16-10-11-28(21(16)12-15)22(29)17-4-2-1-3-5-17/h1-9,12-13H,10-11,14H2,(H2,26,27,30)

InChI Key

ZOVBVAHSUICCIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27227063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.87

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

4.516

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.71

Polar Surface Area

49.542

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L057-0301 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 L057-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L057-0301?
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What is the minimum amount of L057-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L057-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L057-0301
  • 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 L057-0301 available by request