C481-1102 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide

C481-1102 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
C481-1102 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1102
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2-methoxy-5-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

C481-1102

Molecular Formula

C22H19N5O6S2 (C22 H19 N5 O6 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(C(Cc1ccccc1)NS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C22H19N5O6S2/c1-33-19-11-10-15(27(29)30)13-17(19)23-22(28)18(12-14-6-3-2-4-7-14)26-35(31,32)20-9-5-8-16-21(20)25-34-24-16/h2-11,13,18,26H,12H2,1H3,(H,23,28)/t18-/m0/s1

InChI Key

WKLCIWPKZDCOQF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14760662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-4.10

Polar Surface Area

126.199

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C481-1102 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C481-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1102?
Check Price and Availability of C481-1102, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C481-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1102
  • 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 C481-1102 available by request