8018-7588 Screening compound: 5,7-dimethyl-2-[(triphenylmethyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

8018-7588 Screening compound: 5,7-dimethyl-2-[(triphenylmethyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
8018-7588 Screening compound: 5,7-dimethyl-2-[(triphenylmethyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7588
5,7-dimethyl-2-[(triphenylmethyl)sulfanyl]-[1,2,4]triazolo[1,5-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

8018-7588

Molecular Formula

C26H22N4S (C26 H22 N4 S)

Compound Name

5,7-dimethyl-2-[(triphenylmethyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

57-dimethyl-2-[(triphenylmethyl)sulfanyl]-[124]triazolo[15-a]pyrimidine

SMILES

Cc1cc(C)nc2nc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)nn12

InChI

InChI=1S/C26H22N4S/c1-19-18-20(2)30-24(27-19)28-25(29-30)31-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18H,1-2H3

InChI Key

YCAWLZSFWOVMMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-5.76

Polar Surface Area

28.737

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8018-7588 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-7588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7588?
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What is the minimum amount of 8018-7588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7588
  • 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 8018-7588 available by request