8495-0284 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-yloxy)benzamide

8495-0284 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-yloxy)benzamide
8495-0284 Screening compound: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8495-0284
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-yloxy)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

8495-0284

Molecular Formula

C16H14ClN3O2S (C16 H14 ClN3 O2 S)

Compound Name

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(propan-2-yloxy)benzamide

IUPAC name

N-(5-chloro-213-benzothiadiazol-4-yl)-4-(propan-2-yloxy)benzamide

SMILES

CC(C)Oc(cc1)ccc1C(Nc(c1nsnc1cc1)c1Cl)=O

InChI

InChI=1S/C16H14ClN3O2S/c1-9(2)22-11-5-3-10(4-6-11)16(21)18-14-12(17)7-8-13-15(14)20-23-19-13/h3-9H,1-2H3,(H,18,21)

InChI Key

JNFGTNFNAQQUNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07144236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.52

Polar Surface Area

49.689

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8495-0284 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8495-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8495-0284?
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What is the minimum amount of 8495-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8495-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8495-0284
  • 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 8495-0284 available by request