C548-2749 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide

C548-2749 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
C548-2749 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2749
2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)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

C548-2749

Molecular Formula

C14H15N5O3S3 (C14 H15 N5 O3 S3)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-3-methyl-N-(13-thiazol-2-yl)butanamide

SMILES

CC(C)C(C(Nc1nccs1)=O)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C14H15N5O3S3/c1-8(2)11(13(20)16-14-15-6-7-23-14)19-25(21,22)10-5-3-4-9-12(10)18-24-17-9/h3-8,11,19H,1-2H3,(H,15,16,20)/t11-/m0/s1

InChI Key

OTMZKVRYLLNUDW-NSHDSACASA-N

MDL Number (MFCD)

MFCD14769439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.91

Polar Surface Area

96.356

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C548-2749 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C548-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2749?
Check Price and Availability of C548-2749, 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 C548-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2749
  • 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 C548-2749 available by request