6770-0035 Screening compound: 3-(hexylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

6770-0035 Screening compound: 3-(hexylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
6770-0035 Screening compound: 3-(hexylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6770-0035
3-(hexylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

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

6770-0035

Molecular Formula

C13H20N4S (C13 H20 N4 S)

Compound Name

3-(hexylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

IUPAC name

3-(hexylsulfanyl)-57-dimethyl-[124]triazolo[43-a]pyrimidine

SMILES

CCCCCCSc1nnc2nc(C)cc(C)n12

InChI

InChI=1S/C13H20N4S/c1-4-5-6-7-8-18-13-16-15-12-14-10(2)9-11(3)17(12)13/h9H,4-8H2,1-3H3

InChI Key

UUEBYMUMJDSZBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05826346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.45

Polar Surface Area

31.925

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with 6770-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6770-0035?
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What is the minimum amount of 6770-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6770-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6770-0035
  • 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 6770-0035 available by request