C481-1426 Screening compound: N-methyl-N-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,1,3-benzothiadiazole-4-sulfonamide

C481-1426 Screening compound: N-methyl-N-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,1,3-benzothiadiazole-4-sulfonamide
C481-1426 Screening compound: N-methyl-N-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-1426
N-methyl-N-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,1,3-benzothiadiazole-4-sulfonamide

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

C481-1426

Molecular Formula

C17H19N7O3S2 (C17 H19 N7 O3 S2)

Compound Name

N-methyl-N-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-methyl-N-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-213-benzothiadiazole-4-sulfonamide

SMILES

CN(CC(N(CC1)CCN1c1ncccn1)=O)S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C17H19N7O3S2/c1-22(29(26,27)14-5-2-4-13-16(14)21-28-20-13)12-15(25)23-8-10-24(11-9-23)17-18-6-3-7-19-17/h2-7H,8-12H2,1H3

InChI Key

GNCDSLDPFNFPPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-2.25

Polar Surface Area

91.770

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C481-1426 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C481-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-1426?
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What is the minimum amount of C481-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-1426
  • 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 C481-1426 available by request