Y501-7123 Screening compound: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(6-bromo-2-naphthyl)oxy]-1-ethanone

Y501-7123 Screening compound: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(6-bromo-2-naphthyl)oxy]-1-ethanone
Y501-7123 Screening compound: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(6-bromo-2-naphthyl)oxy]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-7123
1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(6-bromo-2-naphthyl)oxy]-1-ethanone

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

Y501-7123

Molecular Formula

C17H13BrF4N2O3 (C17 H13 BrF4 N2 O3)

Compound Name

1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-[(6-bromo-2-naphthyl)oxy]-1-ethanone

IUPAC name

1-[35-bis(difluoromethyl)-5-hydroxy-45-dihydro-1H-pyrazol-1-yl]-2-[(6-bromonaphthalen-2-yl)oxy]ethan-1-one

SMILES

OC(C1)(C(F)F)N(C(COc2ccc(cc(cc3)Br)c3c2)=O)N=C1C(F)F

InChI

InChI=1S/C17H13BrF4N2O3/c18-11-3-1-10-6-12(4-2-9(10)5-11)27-8-14(25)24-17(26,16(21)22)7-13(23-24)15(19)20/h1-6,15-16,26H,7-8H2/t17-/m0/s1

InChI Key

JMPFJANCNWEEDH-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.52

Polar Surface Area

50.490

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

Y501-7123 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-7123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-7123?
Check Price and Availability of Y501-7123, 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 Y501-7123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-7123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-7123
  • 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 Y501-7123 available by request