C481-2159 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3,4-dimethylphenyl)-N-ethyl-3-phenylpropanamide

C481-2159 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3,4-dimethylphenyl)-N-ethyl-3-phenylpropanamide
C481-2159 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3,4-dimethylphenyl)-N-ethyl-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-2159
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3,4-dimethylphenyl)-N-ethyl-3-phenylpropanamide

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

C481-2159

Molecular Formula

C25H26N4O3S2 (C25 H26 N4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3,4-dimethylphenyl)-N-ethyl-3-phenylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(34-dimethylphenyl)-N-ethyl-3-phenylpropanamide

SMILES

CCN(C(C(Cc1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O)c1cc(C)c(C)cc1

InChI

InChI=1S/C25H26N4O3S2/c1-4-29(20-14-13-17(2)18(3)15-20)25(30)22(16-19-9-6-5-7-10-19)28-34(31,32)23-12-8-11-21-24(23)27-33-26-21/h5-15,22,28H,4,16H2,1-3H3/t22-/m0/s1

InChI Key

GEPIUJMCTKMDJX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14760803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-5.11

Polar Surface Area

78.141

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C481-2159 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C481-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-2159?
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What is the minimum amount of C481-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-2159
  • 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 C481-2159 available by request