Y205-4539 Screening compound: N~2~-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]tetrahydro-2-furancarboxamide

Y205-4539 Screening compound: N~2~-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]tetrahydro-2-furancarboxamide
Y205-4539 Screening compound: N~2~-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-4539
N~2~-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]tetrahydro-2-furancarboxamide

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

Y205-4539

Molecular Formula

C12H18BrN3O2 (C12 H18 BrN3 O2)

Compound Name

N~2~-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]tetrahydro-2-furancarboxamide

IUPAC name

N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]oxolane-2-carboxamide

SMILES

Cc1nn(CCCNC(C2OCCC2)=O)cc1Br

InChI

InChI=1S/C12H18BrN3O2/c1-9-10(13)8-16(15-9)6-3-5-14-12(17)11-4-2-7-18-11/h8,11H,2-7H2,1H3,(H,14,17)/t11-/m0/s1

InChI Key

KXGFPYMBCCBKRY-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.549

Distribution Coefficient, logD

0.549

Water Solubility, LogSw

-0.97

Polar Surface Area

48.014

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

Y205-4539 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-4539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-4539?
Check Price and Availability of Y205-4539, 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 Y205-4539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-4539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-4539
  • 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 Y205-4539 available by request