3956-1366 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid

3956-1366 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid
3956-1366 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3956-1366
2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid

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

3956-1366

Molecular Formula

C11H13N3O4S2 (C11 H13 N3 O4 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C11H13N3O4S2/c1-6(2)9(11(15)16)14-20(17,18)8-5-3-4-7-10(8)13-19-12-7/h3-6,9,14H,1-2H3,(H,15,16)/t9-/m0/s1

InChI Key

GGXQUHCKQXDDGR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02232190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.546

Distribution Coefficient, logD

-3.187

Water Solubility, LogSw

-2.18

Polar Surface Area

91.195

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 3956-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3956-1366?
Check Price and Availability of 3956-1366, 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 3956-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3956-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3956-1366
  • 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 3956-1366 available by request