Y041-2771 Screening compound: 2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol

Y041-2771 Screening compound: 2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
Y041-2771 Screening compound: 2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2771
2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol

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

Y041-2771

Molecular Formula

C22H15BrClFN2O3 (C22 H15 BrClFN2 O3)

Compound Name

2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol

IUPAC name

2-[4-(2-bromophenoxy)-1H-pyrazol-3-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol

SMILES

Oc(cc(cc1)OCc(ccc(F)c2)c2Cl)c1-c1n[nH]cc1Oc(cccc1)c1Br

InChI

InChI=1S/C22H15BrClFN2O3/c23-17-3-1-2-4-20(17)30-21-11-26-27-22(21)16-8-7-15(10-19(16)28)29-12-13-5-6-14(25)9-18(13)24/h1-11,28H,12H2,(H,26,27)

InChI Key

MRHAYHMMWWIQGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04193705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.603

Distribution Coefficient, logD

6.593

Water Solubility, LogSw

-6.02

Polar Surface Area

55.125

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y041-2771 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 Y041-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2771?
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What is the minimum amount of Y041-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2771
  • 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 Y041-2771 available by request