G851-0641 Screening compound: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

G851-0641 Screening compound: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
G851-0641 Screening compound: 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G851-0641
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[3-(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

G851-0641

Molecular Formula

C17H13F3N4O2 (C17 H13 F3 N4 O2)

Compound Name

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

IUPAC name

1-[4-(5-methyl-124-oxadiazol-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

SMILES

Cc1nc(-c(cc2)ccc2NC(Nc2cccc(C(F)(F)F)c2)=O)no1

InChI

InChI=1S/C17H13F3N4O2/c1-10-21-15(24-26-10)11-5-7-13(8-6-11)22-16(25)23-14-4-2-3-12(9-14)17(18,19)20/h2-9H,1H3,(H2,22,23,25)

InChI Key

UELOLOAGTKPCII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.75

Polar Surface Area

63.447

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G851-0641 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G851-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G851-0641?
Check Price and Availability of G851-0641, 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 G851-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G851-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G851-0641
  • 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 G851-0641 available by request