7587-1112 Screening compound: 4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

7587-1112 Screening compound: 4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
7587-1112 Screening compound: 4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7587-1112
4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

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

7587-1112

Molecular Formula

C18H17BrN4O4S (C18 H17 BrN4 O4 S)

Compound Name

4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

IUPAC name

4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

SMILES

COc1nccnc1NS(c(cc1)ccc1NCc(cc(cc1)Br)c1O)(=O)=O

InChI

InChI=1S/C18H17BrN4O4S/c1-27-18-17(20-8-9-21-18)23-28(25,26)15-5-3-14(4-6-15)22-11-12-10-13(19)2-7-16(12)24/h2-10,22,24H,11H2,1H3,(H,20,23)

InChI Key

HOQGADCMKWHERP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-3.57

Polar Surface Area

94.707

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7587-1112 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7587-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7587-1112?
Check Price and Availability of 7587-1112, 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 7587-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7587-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7587-1112
  • 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 7587-1112 available by request