8016-9726 Screening compound: methyl 2-[4-(aminosulfonyl)-2-methylphenoxy]acetate

8016-9726 Screening compound: methyl 2-[4-(aminosulfonyl)-2-methylphenoxy]acetate
8016-9726 Screening compound: methyl 2-[4-(aminosulfonyl)-2-methylphenoxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9726
methyl 2-[4-(aminosulfonyl)-2-methylphenoxy]acetate

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

8016-9726

Molecular Formula

C10H13NO5S (C10 H13 NO5 S)

Compound Name

methyl 2-[4-(aminosulfonyl)-2-methylphenoxy]acetate

IUPAC name

methyl 2-(2-methyl-4-sulfamoylphenoxy)acetate

SMILES

Cc(cc(cc1)S(N)(=O)=O)c1OCC(OC)=O

InChI

InChI=1S/C10H13NO5S/c1-7-5-8(17(11,13)14)3-4-9(7)16-6-10(12)15-2/h3-5H,6H2,1-2H3,(H2,11,13,14)

InChI Key

QBKXXOXWFNZXFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04402824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.613

Water Solubility, LogSw

-2.04

Polar Surface Area

79.006

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8016-9726 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9726?
Check Price and Availability of 8016-9726, 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 8016-9726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9726
  • 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 8016-9726 available by request