6770-0023 Screening compound: 2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

6770-0023 Screening compound: 2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide
6770-0023 Screening compound: 2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6770-0023
2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

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

6770-0023

Molecular Formula

C15H15N5OS (C15 H15 N5 OS)

Compound Name

2-({5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

IUPAC name

2-({57-dimethyl-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)-N-phenylacetamide

SMILES

Cc(n12)cc(C)nc2nnc1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C15H15N5OS/c1-10-8-11(2)20-14(16-10)18-19-15(20)22-9-13(21)17-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,21)

InChI Key

ANRMPPCTMSCUNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04749443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.46

Polar Surface Area

54.803

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6770-0023 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 6770-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6770-0023?
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What is the minimum amount of 6770-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6770-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6770-0023
  • 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 6770-0023 available by request