L556-0039 Screening compound: 3-[2-(pyridin-3-yl)-1H-indol-3-yl]-1-[2-(trifluoromethyl)phenyl]urea

L556-0039 Screening compound: 3-[2-(pyridin-3-yl)-1H-indol-3-yl]-1-[2-(trifluoromethyl)phenyl]urea
L556-0039 Screening compound: 3-[2-(pyridin-3-yl)-1H-indol-3-yl]-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L556-0039
3-[2-(pyridin-3-yl)-1H-indol-3-yl]-1-[2-(trifluoromethyl)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

L556-0039

Molecular Formula

C21H15F3N4O (C21 H15 F3 N4 O)

Compound Name

3-[2-(pyridin-3-yl)-1H-indol-3-yl]-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-[2-(pyridin-3-yl)-1H-indol-3-yl]-1-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc1c(-c2cnccc2)[nH]c2c1cccc2)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C21H15F3N4O/c22-21(23,24)15-8-2-4-10-17(15)27-20(29)28-19-14-7-1-3-9-16(14)26-18(19)13-6-5-11-25-12-13/h1-12,26H,(H2,27,28,29)

InChI Key

GZLKNEDWZGABIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15130338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.36

Polar Surface Area

49.814

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

L556-0039 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L556-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L556-0039?
Check Price and Availability of L556-0039, 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 L556-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L556-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L556-0039
  • 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 L556-0039 available by request