C481-2104 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(4-chlorophenyl)methyl]butanamide

C481-2104 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(4-chlorophenyl)methyl]butanamide
C481-2104 Screening compound: 4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(4-chlorophenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-2104
4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(4-chlorophenyl)methyl]butanamide

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

C481-2104

Molecular Formula

C17H17ClN4O3S2 (C17 H17 ClN4 O3 S2)

Compound Name

4-(2,1,3-benzothiadiazole-4-sulfonamido)-N-[(4-chlorophenyl)methyl]butanamide

IUPAC name

4-(213-benzothiadiazole-4-sulfonamido)-N-[(4-chlorophenyl)methyl]butanamide

SMILES

O=C(CCCNS(c1cccc2nsnc12)(=O)=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C17H17ClN4O3S2/c18-13-8-6-12(7-9-13)11-19-16(23)5-2-10-20-27(24,25)15-4-1-3-14-17(15)22-26-21-14/h1,3-4,6-9,20H,2,5,10-11H2,(H,19,23)

InChI Key

KDTCZTSGABILIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.93

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

2.604

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.44

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

C481-2104 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 C481-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-2104?
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What is the minimum amount of C481-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-2104
  • 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 C481-2104 available by request