Y501-1049 Screening compound: 4-[(4-bromophenoxy)methyl]-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide

Y501-1049 Screening compound: 4-[(4-bromophenoxy)methyl]-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
Y501-1049 Screening compound: 4-[(4-bromophenoxy)methyl]-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1049
4-[(4-bromophenoxy)methyl]-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)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

Y501-1049

Molecular Formula

C26H23BrN4O6S (C26 H23 BrN4 O6 S)

Compound Name

4-[(4-bromophenoxy)methyl]-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide

IUPAC name

4-[(4-bromophenoxy)methyl]-N-{4-[(26-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}benzamide

SMILES

COc1cc(NS(c(cc2)ccc2NC(c2ccc(COc(cc3)ccc3Br)cc2)=O)(=O)=O)nc(OC)n1

InChI

InChI=1S/C26H23BrN4O6S/c1-35-24-15-23(29-26(30-24)36-2)31-38(33,34)22-13-9-20(10-14-22)28-25(32)18-5-3-17(4-6-18)16-37-21-11-7-19(27)8-12-21/h3-15H,16H2,1-2H3,(H,28,32)(H,29,30,31)

InChI Key

IWZMUMUEYDLPQR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-5.18

Polar Surface Area

105.134

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.54

References: we are preparing a list of scientific research reports with Y501-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1049?
Check Price and Availability of Y501-1049, 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 Y501-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1049
  • 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 Y501-1049 available by request