7916-0879 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)hexanamide

7916-0879 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)hexanamide
7916-0879 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7916-0879
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)hexanamide

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

7916-0879

Molecular Formula

C12H14ClN3OS (C12 H14 ClN3 OS)

Compound Name

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

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)hexanamide

SMILES

CCCCCC(Nc(c1nsnc1cc1)c1Cl)=O

InChI

InChI=1S/C12H14ClN3OS/c1-2-3-4-5-10(17)14-11-8(13)6-7-9-12(11)16-18-15-9/h6-7H,2-5H2,1H3,(H,14,17)

InChI Key

BOIDWELGRDDDKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07436416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.712

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-3.96

Polar Surface Area

42.945

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 7916-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7916-0879?
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What is the minimum amount of 7916-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7916-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7916-0879
  • 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 7916-0879 available by request