L317-0055 Screening compound: 3-(2,5-difluorophenyl)-1-[4-(1H-indol-2-yl)phenyl]urea

L317-0055 Screening compound: 3-(2,5-difluorophenyl)-1-[4-(1H-indol-2-yl)phenyl]urea
L317-0055 Screening compound: 3-(2,5-difluorophenyl)-1-[4-(1H-indol-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L317-0055
3-(2,5-difluorophenyl)-1-[4-(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

L317-0055

Molecular Formula

C21H15F2N3O (C21 H15 F2 N3 O)

Compound Name

3-(2,5-difluorophenyl)-1-[4-(1H-indol-2-yl)phenyl]urea

IUPAC name

3-(25-difluorophenyl)-1-[4-(1H-indol-2-yl)phenyl]urea

SMILES

O=C(Nc(cc1)ccc1-c1cc(cccc2)c2[nH]1)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C21H15F2N3O/c22-15-7-10-17(23)20(12-15)26-21(27)24-16-8-5-13(6-9-16)19-11-14-3-1-2-4-18(14)25-19/h1-12,25H,(H2,24,26,27)

InChI Key

YPSHFBUMTMZAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.37

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

6.096

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-6.96

Polar Surface Area

40.921

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

L317-0055 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 L317-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L317-0055?
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What is the minimum amount of L317-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L317-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L317-0055
  • 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 L317-0055 available by request