8018-6140 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide

8018-6140 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide
8018-6140 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6140
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide

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

8018-6140

Molecular Formula

C11H12ClN3OS (C11 H12 ClN3 OS)

Compound Name

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-methylbutanamide

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)-3-methylbutanamide

SMILES

CC(C)CC(Nc(c1nsnc1cc1)c1Cl)=O

InChI

InChI=1S/C11H12ClN3OS/c1-6(2)5-9(16)13-10-7(12)3-4-8-11(10)15-17-14-8/h3-4,6H,5H2,1-2H3,(H,13,16)

InChI Key

GWLABNPCQKVDDS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.55

Polar Surface Area

42.945

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8018-6140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6140?
Check Price and Availability of 8018-6140, 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 8018-6140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6140
  • 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 8018-6140 available by request