3553-2117 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-4-(benzyloxy)benzamide

3553-2117 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-4-(benzyloxy)benzamide
3553-2117 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-4-(benzyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-2117
N-(2,1,3-benzothiadiazol-4-yl)-4-(benzyloxy)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

3553-2117

Molecular Formula

C20H15N3O2S (C20 H15 N3 O2 S)

Compound Name

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

IUPAC name

N-(213-benzothiadiazol-4-yl)-4-(benzyloxy)benzamide

SMILES

O=C(c(cc1)ccc1OCc1ccccc1)Nc1cccc2nsnc12

InChI

InChI=1S/C20H15N3O2S/c24-20(21-17-7-4-8-18-19(17)23-26-22-18)15-9-11-16(12-10-15)25-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,24)

InChI Key

PJZDLGWIYUUJBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.93

Polar Surface Area

50.812

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3553-2117 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3553-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-2117?
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What is the minimum amount of 3553-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-2117
  • 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 3553-2117 available by request