Y041-2681 Screening compound: 2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-methoxyphenol

Y041-2681 Screening compound: 2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-methoxyphenol
Y041-2681 Screening compound: 2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2681
2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-methoxyphenol

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

Y041-2681

Molecular Formula

C16H13BrN2O3 (C16 H13 BrN2 O3)

Compound Name

2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-methoxyphenol

IUPAC name

2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-methoxyphenol

SMILES

COc(cc1)cc(O)c1-c1n[nH]cc1Oc(cccc1)c1Br

InChI

InChI=1S/C16H13BrN2O3/c1-21-10-6-7-11(13(20)8-10)16-15(9-18-19-16)22-14-5-3-2-4-12(14)17/h2-9,20H,1H3,(H,18,19)

InChI Key

RCUDZFCMVHIIKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04154796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.16

Polar Surface Area

55.441

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y041-2681 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-2681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2681?
Check Price and Availability of Y041-2681, 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 Y041-2681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2681
  • 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 Y041-2681 available by request