G857-0756 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

G857-0756 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
G857-0756 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-0756
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-1,2-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

G857-0756

Molecular Formula

C16H13N5O4S (C16 H13 N5 O4 S)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxo-12-dihydropyridine-3-carboxamide

SMILES

Cc1nnc(NC(C2=CC=CN(Cc3cc([N+]([O-])=O)ccc3)C2=O)=O)s1

InChI

InChI=1S/C16H13N5O4S/c1-10-18-19-16(26-10)17-14(22)13-6-3-7-20(15(13)23)9-11-4-2-5-12(8-11)21(24)25/h2-8H,9H2,1H3,(H,17,19,22)

InChI Key

YDURXTPEXGDCLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07805705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.634

Distribution Coefficient, logD

-1.650

Water Solubility, LogSw

-2.56

Polar Surface Area

95.777

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G857-0756 in Drug Discovery

Included in Screening Libraries

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 G857-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-0756?
Check Price and Availability of G857-0756, 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 G857-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-0756
  • 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 G857-0756 available by request