G205-0974 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

G205-0974 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
G205-0974 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G205-0974
N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-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

G205-0974

Molecular Formula

C18H18BrN5O3S (C18 H18 BrN5 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-2-(pyrrolidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-2-(pyrrolidin-1-yl)-5H-[134]thiadiazolo[32-a]pyrimidine-6-carboxamide

SMILES

COc(cc1)c(CNC(C2=CN=C3SC(N4CCCC4)=NN3C2=O)=O)cc1Br

InChI

InChI=1S/C18H18BrN5O3S/c1-27-14-5-4-12(19)8-11(14)9-20-15(25)13-10-21-17-24(16(13)26)22-18(28-17)23-6-2-3-7-23/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,20,25)

InChI Key

KFEGQRNJJQEPOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14985542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.07

Polar Surface Area

73.236

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G205-0974 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

References: we are preparing a list of scientific research reports with G205-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G205-0974?
Check Price and Availability of G205-0974, 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 G205-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G205-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G205-0974
  • 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 G205-0974 available by request