7587-1111 Screening compound: 4-{[(2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide

7587-1111 Screening compound: 4-{[(2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
7587-1111 Screening compound: 4-{[(2-hydroxyphenyl)methyl]amino}-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7587-1111
4-{[(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

7587-1111

Molecular Formula

C18H18N4O4S (C18 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1nccnc1NS(c(cc1)ccc1NCc(cccc1)c1O)(=O)=O

InChI

InChI=1S/C18H18N4O4S/c1-26-18-17(19-10-11-20-18)22-27(24,25)15-8-6-14(7-9-15)21-12-13-4-2-3-5-16(13)23/h2-11,21,23H,12H2,1H3,(H,19,22)

InChI Key

XMYBEEZKKFOUGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

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

2.911

Distribution Coefficient, logD

1.410

Water Solubility, LogSw

-3.30

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

7587-1111 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7587-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7587-1111?
Check Price and Availability of 7587-1111, 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 7587-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7587-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7587-1111
  • 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 7587-1111 available by request