G786-0882 Screening compound: 4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

G786-0882 Screening compound: 4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
G786-0882 Screening compound: 4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0882
4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)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

G786-0882

Molecular Formula

C20H22N4O5S3 (C20 H22 N4 O5 S3)

Compound Name

4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

IUPAC name

4-[(3-methylpiperidin-1-yl)sulfonyl]-N-(6-sulfamoyl-13-benzothiazol-2-yl)benzamide

SMILES

CC(CCC1)CN1S(c(cc1)ccc1C(Nc1nc(ccc(S(N)(=O)=O)c2)c2s1)=O)(=O)=O

InChI

InChI=1S/C20H22N4O5S3/c1-13-3-2-10-24(12-13)32(28,29)15-6-4-14(5-7-15)19(25)23-20-22-17-9-8-16(31(21,26)27)11-18(17)30-20/h4-9,11,13H,2-3,10,12H2,1H3,(H2,21,26,27)(H,22,23,25)/t13-/m0/s1

InChI Key

ZUNFRBCTIARHFT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04424137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.61

Polar Surface Area

115.339

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G786-0882 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G786-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0882?
Check Price and Availability of G786-0882, 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 G786-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0882
  • 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 G786-0882 available by request