D468-1942 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-4-(hexyloxy)benzamide

D468-1942 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-4-(hexyloxy)benzamide
D468-1942 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-4-(hexyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1942
N-(2,1,3-benzothiadiazol-5-yl)-4-(hexyloxy)benzamide

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

D468-1942

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-4-(hexyloxy)benzamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-4-(hexyloxy)benzamide

SMILES

CCCCCCOc(cc1)ccc1C(Nc1cc2nsnc2cc1)=O

InChI

InChI=1S/C19H21N3O2S/c1-2-3-4-5-12-24-16-9-6-14(7-10-16)19(23)20-15-8-11-17-18(13-15)22-25-21-17/h6-11,13H,2-5,12H2,1H3,(H,20,23)

InChI Key

YSPYWIKZSWNJKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.775

Distribution Coefficient, logD

5.761

Water Solubility, LogSw

-5.30

Polar Surface Area

50.930

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with D468-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1942?
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What is the minimum amount of D468-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1942
  • 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 D468-1942 available by request