C481-0866 Screening compound: 2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide

C481-0866 Screening compound: 2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide
C481-0866 Screening compound: 2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C481-0866
2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide

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

C481-0866

Molecular Formula

C14H20N4O3S2 (C14 H20 N4 O3 S2)

Compound Name

2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide

IUPAC name

2-(N-methyl213-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(C)S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C14H20N4O3S2/c1-10(2)7-8-15-13(19)9-18(3)23(20,21)12-6-4-5-11-14(12)17-22-16-11/h4-6,10H,7-9H2,1-3H3,(H,15,19)

InChI Key

BYYVUPFKOSQJLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.995

Water Solubility, LogSw

-2.61

Polar Surface Area

78.340

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C481-0866 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C481-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C481-0866?
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What is the minimum amount of C481-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C481-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C481-0866
  • 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 C481-0866 available by request