C548-2874 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide

C548-2874 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
C548-2874 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2874
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide

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

C548-2874

Molecular Formula

C14H14BrN5O3S3 (C14 H14 BrN5 O3 S3)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(5-bromo-13-thiazol-2-yl)-3-methylbutanamide

SMILES

CC(C)C(C(Nc(s1)ncc1Br)=O)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C14H14BrN5O3S3/c1-7(2)11(13(21)17-14-16-6-10(15)24-14)20-26(22,23)9-5-3-4-8-12(9)19-25-18-8/h3-7,11,20H,1-2H3,(H,16,17,21)/t11-/m0/s1

InChI Key

UZUGJFDHBRDQEO-NSHDSACASA-N

MDL Number (MFCD)

MFCD14769465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.4

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

3.390

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.61

Polar Surface Area

96.446

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C548-2874 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C548-2874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2874?
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What is the minimum amount of C548-2874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2874
  • 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 C548-2874 available by request