C548-2768 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide

C548-2768 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
C548-2768 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-2768
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(6-methoxy-1,3-benzothiazol-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

C548-2768

Molecular Formula

C19H19N5O4S3 (C19 H19 N5 O4 S3)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-N-(6-methoxy-13-benzothiazol-2-yl)-3-methylbutanamide

SMILES

CC(C)C(C(Nc1nc(ccc(OC)c2)c2s1)=O)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C19H19N5O4S3/c1-10(2)16(24-31(26,27)15-6-4-5-13-17(15)23-30-22-13)18(25)21-19-20-12-8-7-11(28-3)9-14(12)29-19/h4-10,16,24H,1-3H3,(H,20,21,25)/t16-/m0/s1

InChI Key

LDIVLKNMIXBIOU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14769443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-4.15

Polar Surface Area

103.183

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

C548-2768 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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

References: we are preparing a list of scientific research reports with C548-2768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-2768?
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What is the minimum amount of C548-2768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-2768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-2768
  • 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 C548-2768 available by request