L317-0229 Screening compound: 3-(3-chloro-2-methylphenyl)-1-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

L317-0229 Screening compound: 3-(3-chloro-2-methylphenyl)-1-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
L317-0229 Screening compound: 3-(3-chloro-2-methylphenyl)-1-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L317-0229
3-(3-chloro-2-methylphenyl)-1-[4-(5-fluoro-1H-indol-2-yl)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

L317-0229

Molecular Formula

C22H17ClFN3O (C22 H17 ClFN3 O)

Compound Name

3-(3-chloro-2-methylphenyl)-1-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

IUPAC name

3-(3-chloro-2-methylphenyl)-1-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea

SMILES

Cc(c(NC(Nc(cc1)ccc1-c1cc(cc(cc2)F)c2[nH]1)=O)ccc1)c1Cl

InChI

InChI=1S/C22H17ClFN3O/c1-13-18(23)3-2-4-19(13)27-22(28)25-17-8-5-14(6-9-17)21-12-15-11-16(24)7-10-20(15)26-21/h2-12,26H,1H3,(H2,25,27,28)

InChI Key

WIQOAKLBBRYAKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-6.43

Polar Surface Area

40.921

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

L317-0229 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L317-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L317-0229?
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What is the minimum amount of L317-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L317-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L317-0229
  • 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 L317-0229 available by request