Y031-8567 Screening compound: methyl 2-[(methylsulfonyl)amino]benzoate

Y031-8567 Screening compound: methyl 2-[(methylsulfonyl)amino]benzoate
Y031-8567 Screening compound: methyl 2-[(methylsulfonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8567
methyl 2-[(methylsulfonyl)amino]benzoate

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

Y031-8567

Molecular Formula

C9H11NO4S (C9 H11 NO4 S)

Compound Name

methyl 2-[(methylsulfonyl)amino]benzoate

IUPAC name

methyl 2-methanesulfonamidobenzoate

SMILES

COC(c(cccc1)c1NS(C)(=O)=O)=O

InChI

InChI=1S/C9H11NO4S/c1-14-9(11)7-5-3-4-6-8(7)10-15(2,12)13/h3-6,10H,1-2H3

InChI Key

QZFHUYKVZFZBSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00034026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.117

Distribution Coefficient, logD

-0.755

Water Solubility, LogSw

-2.11

Polar Surface Area

62.582

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

-9.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

Y031-8567 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-8567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8567?
Check Price and Availability of Y031-8567, 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 Y031-8567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8567
  • 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 Y031-8567 available by request