G647-2961 Screening compound: N-{2-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbutanamide

G647-2961 Screening compound: N-{2-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbutanamide
G647-2961 Screening compound: N-{2-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G647-2961
N-{2-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbutanamide

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

G647-2961

Molecular Formula

C20H22N6O2S2 (C20 H22 N6 O2 S2)

Compound Name

N-{2-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbutanamide

IUPAC name

N-{2-[({2-ethyl-7-oxo-3H7H-[124]triazolo[15-a]pyrimidin-5-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}-3-methylbutanamide

SMILES

CCC(NC1=NC(CSc2nc(ccc(NC(CC(C)C)=O)c3)c3s2)=C2)=NN1C2=O

InChI

InChI=1S/C20H22N6O2S2/c1-4-16-24-19-22-13(9-18(28)26(19)25-16)10-29-20-23-14-6-5-12(8-15(14)30-20)21-17(27)7-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,21,27)(H,22,24,25)

InChI Key

WYKZUDRHUXROQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-3.99

Polar Surface Area

84.436

Acid Dissociation Constant (pKa)

6.54

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G647-2961 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G647-2961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G647-2961?
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What is the minimum amount of G647-2961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G647-2961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G647-2961
  • 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 G647-2961 available by request