G072-2191 Screening compound: N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

G072-2191 Screening compound: N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
G072-2191 Screening compound: N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2191
N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-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

G072-2191

Molecular Formula

C17H13N5O2S3 (C17 H13 N5 O2 S3)

Compound Name

N-{5-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

N-{5-[({3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}benzamide

SMILES

CC(N12)=CSC2=NC(CSc2nnc(NC(c3ccccc3)=O)s2)=CC1=O

InChI

InChI=1S/C17H13N5O2S3/c1-10-8-25-16-18-12(7-13(23)22(10)16)9-26-17-21-20-15(27-17)19-14(24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20,24)

InChI Key

HBVHWSSOVYZORH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.35

Polar Surface Area

71.584

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G072-2191 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G072-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2191?
Check Price and Availability of G072-2191, 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 G072-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2191
  • 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 G072-2191 available by request