G786-1486 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

G786-1486 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide
G786-1486 Screening compound: N~1~-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1486
N~1~-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-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

G786-1486

Molecular Formula

C14H13N3O4S2 (C14 H13 N3 O4 S2)

Compound Name

N~1~-(4-methyl-1,3-thiazol-2-yl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

IUPAC name

N-(4-methyl-13-thiazol-2-yl)-3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamide

SMILES

Cc1csc(NC(CCN(C(c2c3cccc2)=O)S3(=O)=O)=O)n1

InChI

InChI=1S/C14H13N3O4S2/c1-9-8-22-14(15-9)16-12(18)6-7-17-13(19)10-4-2-3-5-11(10)23(17,20)21/h2-5,8H,6-7H2,1H3,(H,15,16,18)

InChI Key

FYSSZJRKZMCISX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04210003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.027

Distribution Coefficient, logD

1.014

Water Solubility, LogSw

-2.30

Polar Surface Area

78.164

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G786-1486 in Drug Discovery

Included in Screening Libraries

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 G786-1486 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G786-1486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1486
  • 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 G786-1486 available by request