Y501-5538 Screening compound: 3-[(2-bromophenoxy)methyl]-N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-4-methoxybenzamide

Y501-5538 Screening compound: 3-[(2-bromophenoxy)methyl]-N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-4-methoxybenzamide
Y501-5538 Screening compound: 3-[(2-bromophenoxy)methyl]-N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5538
3-[(2-bromophenoxy)methyl]-N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-4-methoxybenzamide

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

Y501-5538

Molecular Formula

C25H21Br2N3O3 (C25 H21 Br2 N3 O3)

Compound Name

3-[(2-bromophenoxy)methyl]-N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-4-methoxybenzamide

IUPAC name

N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-3-[(2-bromophenoxy)methyl]-4-methoxybenzamide

SMILES

COc(cc1)c(COc(cccc2)c2Br)cc1C(Nc1ccc(Cn2ncc(Br)c2)cc1)=O

InChI

InChI=1S/C25H21Br2N3O3/c1-32-23-11-8-18(12-19(23)16-33-24-5-3-2-4-22(24)27)25(31)29-21-9-6-17(7-10-21)14-30-15-20(26)13-28-30/h2-13,15H,14,16H2,1H3,(H,29,31)

InChI Key

DAQNBDLOBYWWRQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.35

Polar Surface Area

52.780

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with Y501-5538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5538?
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What is the minimum amount of Y501-5538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5538
  • 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 Y501-5538 available by request