G786-0890 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide

G786-0890 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide
G786-0890 Screening compound: N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0890
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide

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

G786-0890

Molecular Formula

C20H21N3O6S3 (C20 H21 N3 O6 S3)

Compound Name

N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-4-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide

IUPAC name

N-(6-methanesulfonyl-13-benzothiazol-2-yl)-4-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide

SMILES

CS(c(cc1)cc2c1nc(NC(c(cc1)ccc1S(NCC1OCCC1)(=O)=O)=O)s2)(=O)=O

InChI

InChI=1S/C20H21N3O6S3/c1-31(25,26)16-8-9-17-18(11-16)30-20(22-17)23-19(24)13-4-6-15(7-5-13)32(27,28)21-12-14-3-2-10-29-14/h4-9,11,14,21H,2-3,10,12H2,1H3,(H,22,23,24)/t14-/m1/s1

InChI Key

KLBFFYQBBMTSGC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04212096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.905

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.80

Polar Surface Area

113.252

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G786-0890 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G786-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0890?
Check Price and Availability of G786-0890, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G786-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0890
  • 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 G786-0890 available by request