G843-0064 Screening compound: 1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide

G843-0064 Screening compound: 1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide
G843-0064 Screening compound: 1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G843-0064
1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide

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

G843-0064

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide

IUPAC name

1-benzyl-N-(4-methyl-13-benzothiazol-2-yl)-6-oxo-16-dihydropyridine-3-carboxamide

SMILES

Cc1cccc2c1nc(NC(C(C=C1)=CN(Cc3ccccc3)C1=O)=O)s2

InChI

InChI=1S/C21H17N3O2S/c1-14-6-5-9-17-19(14)22-21(27-17)23-20(26)16-10-11-18(25)24(13-16)12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H,22,23,26)

InChI Key

RBYKIILXKSOBRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08538887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-4.06

Polar Surface Area

50.373

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G843-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G843-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G843-0064?
Check Price and Availability of G843-0064, 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 G843-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G843-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G843-0064
  • 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 G843-0064 available by request