C105-2418 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(1,3-thiazol-2-yl)propanamide

C105-2418 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(1,3-thiazol-2-yl)propanamide
C105-2418 Screening compound: 3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-2418
3-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(1,3-thiazol-2-yl)propanamide

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

C105-2418

Molecular Formula

C12H11N5O3S3 (C12 H11 N5 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCNS(c1cccc2nsnc12)(=O)=O)Nc1nccs1

InChI

InChI=1S/C12H11N5O3S3/c18-10(15-12-13-6-7-21-12)4-5-14-23(19,20)9-3-1-2-8-11(9)17-22-16-8/h1-3,6-7,14H,4-5H2,(H,13,15,18)

InChI Key

LWKBVDKGXRVNDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.45

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

1.492

Distribution Coefficient, logD

1.487

Water Solubility, LogSw

-2.32

Polar Surface Area

96.419

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C105-2418 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C105-2418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-2418?
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What is the minimum amount of C105-2418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-2418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-2418
  • 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 C105-2418 available by request