C481-0598 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-nitrophenyl)-3-phenylpropanamide

C481-0598 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-nitrophenyl)-3-phenylpropanamide
C481-0598 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-nitrophenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0598
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-nitrophenyl)-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

C481-0598

Molecular Formula

C21H17N5O5S2 (C21 H17 N5 O5 S2)

Compound Name

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

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(3-nitrophenyl)-3-phenylpropanamide

SMILES

[O-][N+](c1cccc(NC(C(Cc2ccccc2)NS(c2cccc3nsnc23)(=O)=O)=O)c1)=O

InChI

InChI=1S/C21H17N5O5S2/c27-21(22-15-8-4-9-16(13-15)26(28)29)18(12-14-6-2-1-3-7-14)25-33(30,31)19-11-5-10-17-20(19)24-32-23-17/h1-11,13,18,25H,12H2,(H,22,27)/t18-/m0/s1

InChI Key

AIBIRFRKTAXTCX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14760553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.23

Polar Surface Area

119.266

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with C481-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0598?
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What is the minimum amount of C481-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0598
  • 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 C481-0598 available by request