Y502-6707 Screening compound: 2-{1-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazole

Y502-6707 Screening compound: 2-{1-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazole
Y502-6707 Screening compound: 2-{1-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6707
2-{1-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazole

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

Y502-6707

Molecular Formula

C14H14BrF2N7O3 (C14 H14 BrF2 N7 O3)

Compound Name

2-{1-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazole

IUPAC name

2-{1-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]ethyl}-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-134-oxadiazole

SMILES

CC(c1nnc(CCn2ncc([N+]([O-])=O)c2)o1)n1nc(C(F)F)c(Br)c1C

InChI

InChI=1S/C14H14BrF2N7O3/c1-7-11(15)12(13(16)17)21-23(7)8(2)14-20-19-10(27-14)3-4-22-6-9(5-18-22)24(25)26/h5-6,8,13H,3-4H2,1-2H3/t8-/m0/s1

InChI Key

QFGLKNVNWZLLPP-QMMMGPOBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.651

Distribution Coefficient, logD

1.651

Water Solubility, LogSw

-1.48

Polar Surface Area

93.121

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y502-6707 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 Y502-6707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6707?
Check Price and Availability of Y502-6707, 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 Y502-6707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6707
  • 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 Y502-6707 available by request