L435-0095 Screening compound: 1-(4-{5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-3-[2-(trifluoromethyl)phenyl]urea

L435-0095 Screening compound: 1-(4-{5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-3-[2-(trifluoromethyl)phenyl]urea
L435-0095 Screening compound: 1-(4-{5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-3-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound L435-0095
1-(4-{5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-3-[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

L435-0095

Molecular Formula

C24H19F3N4O2 (C24 H19 F3 N4 O2)

Compound Name

1-(4-{5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl}phenyl)-3-[2-(trifluoromethyl)phenyl]urea

IUPAC name

1-(4-{5-[(4-methylphenyl)methyl]-134-oxadiazol-2-yl}phenyl)-3-[2-(trifluoromethyl)phenyl]urea

SMILES

Cc1ccc(Cc2nnc(-c(cc3)ccc3NC(Nc3c(C(F)(F)F)cccc3)=O)o2)cc1

InChI

InChI=1S/C24H19F3N4O2/c1-15-6-8-16(9-7-15)14-21-30-31-22(33-21)17-10-12-18(13-11-17)28-23(32)29-20-5-3-2-4-19(20)24(25,26)27/h2-13H,14H2,1H3,(H2,28,29,32)

InChI Key

GGWPIYGDUHDCGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15127255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.802

Distribution Coefficient, logD

5.802

Water Solubility, LogSw

-5.55

Polar Surface Area

61.753

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L435-0095 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L435-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L435-0095?
Check Price and Availability of L435-0095, 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 L435-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L435-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L435-0095
  • 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 L435-0095 available by request