C481-1719 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylbutanamide

C481-1719 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylbutanamide
C481-1719 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1719
4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylbutanamide

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

C481-1719

Molecular Formula

C17H18N4O3S2 (C17 H18 N4 O3 S2)

Compound Name

4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-benzylbutanamide

IUPAC name

4-(213-benzothiadiazole-4-sulfonamido)-N-benzylbutanamide

SMILES

O=C(CCCNS(c1cccc2nsnc12)(=O)=O)NCc1ccccc1

InChI

InChI=1S/C17H18N4O3S2/c22-16(18-12-13-6-2-1-3-7-13)10-5-11-19-26(23,24)15-9-4-8-14-17(15)21-25-20-14/h1-4,6-9,19H,5,10-12H2,(H,18,22)

InChI Key

WGIUNHUWBNFBRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.55

Polar Surface Area

87.262

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C481-1719 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C481-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1719?
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What is the minimum amount of C481-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1719
  • 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 C481-1719 available by request