G786-1314 Screening compound: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylbenzenesulfonyl)propanamide

G786-1314 Screening compound: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylbenzenesulfonyl)propanamide
G786-1314 Screening compound: N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylbenzenesulfonyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1314
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylbenzenesulfonyl)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

G786-1314

Molecular Formula

C17H22N2O3S2 (C17 H22 N2 O3 S2)

Compound Name

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylbenzenesulfonyl)propanamide

IUPAC name

N-(4-tert-butyl-13-thiazol-2-yl)-3-(4-methylbenzenesulfonyl)propanamide

SMILES

CC(C)(C)c1csc(NC(CCS(c2ccc(C)cc2)(=O)=O)=O)n1

InChI

InChI=1S/C17H22N2O3S2/c1-12-5-7-13(8-6-12)24(21,22)10-9-15(20)19-16-18-14(11-23-16)17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,19,20)

InChI Key

GEQAJKJWKLBNJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07191090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-3.85

Polar Surface Area

62.199

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G786-1314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G786-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1314?
Check Price and Availability of G786-1314, 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 G786-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1314
  • 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 G786-1314 available by request