Y501-8424 Screening compound: 4-[(4-bromophenoxy)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]benzamide

Y501-8424 Screening compound: 4-[(4-bromophenoxy)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]benzamide

Chemical Structure Depiction of ChemDiv screening compound Y501-8424
4-[(4-bromophenoxy)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]benzamide

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

Y501-8424

Molecular Formula

C27H20BrClN2O5 (C27 H20 BrClN2 O5)

Compound Name

4-[(4-bromophenoxy)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]benzamide

IUPAC name

4-[(4-bromophenoxy)methyl]-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]benzamide

SMILES

Cc(cc(cc1)Oc2cc([N+]([O-])=O)cc(NC(c3ccc(COc(cc4)ccc4Br)cc3)=O)c2)c1Cl

InChI

InChI=1S/C27H20BrClN2O5/c1-17-12-24(10-11-26(17)29)36-25-14-21(13-22(15-25)31(33)34)30-27(32)19-4-2-18(3-5-19)16-35-23-8-6-20(28)7-9-23/h2-15H,16H2,1H3,(H,30,32)

InChI Key

YYLZLWHDVZVGHJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.327

Distribution Coefficient, logD

8.297

Water Solubility, LogSw

-6.54

Polar Surface Area

70.686

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.41

Y501-8424 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y501-8424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8424?
Check Price and Availability of Y501-8424, 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 Y501-8424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8424
  • 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 Y501-8424 available by request