D468-1968 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-3-butoxybenzamide

D468-1968 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-3-butoxybenzamide
D468-1968 Screening compound: N-(2,1,3-benzothiadiazol-5-yl)-3-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-1968
N-(2,1,3-benzothiadiazol-5-yl)-3-butoxybenzamide

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

D468-1968

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

N-(2,1,3-benzothiadiazol-5-yl)-3-butoxybenzamide

IUPAC name

N-(213-benzothiadiazol-5-yl)-3-butoxybenzamide

SMILES

CCCCOc1cccc(C(Nc2cc3nsnc3cc2)=O)c1

InChI

InChI=1S/C17H17N3O2S/c1-2-3-9-22-14-6-4-5-12(10-14)17(21)18-13-7-8-15-16(11-13)20-23-19-15/h4-8,10-11H,2-3,9H2,1H3,(H,18,21)

InChI Key

KNVXVCXGCNPTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.810

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.55

Polar Surface Area

50.930

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D468-1968 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D468-1968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-1968?
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What is the minimum amount of D468-1968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-1968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-1968
  • 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 D468-1968 available by request