8019-5933 Screening compound: 2,13-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine

8019-5933 Screening compound: 2,13-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine
8019-5933 Screening compound: 2,13-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5933
2,13-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]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

8019-5933

Molecular Formula

C14H14N6S (C14 H14 N6 S)

Compound Name

2,13-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidine

IUPAC name

914-dimethyl-19-thia-2457810-hexaazapentacyclo[10.7.0.0^{26}.0^{711}.0^{1318}]nonadeca-1(12)3581013(18)-hexaene

SMILES

CC(CCC1)c2c1sc1c2c2nc(C)nn2c2nncn12

InChI

InChI=1S/C14H14N6S/c1-7-4-3-5-9-10(7)11-12-16-8(2)18-20(12)14-17-15-6-19(14)13(11)21-9/h6-7H,3-5H2,1-2H3/t7-/m0/s1

InChI Key

PIHSQSWNXVXZRD-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD05679681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.085

Distribution Coefficient, logD

2.084

Water Solubility, LogSw

-1.99

Polar Surface Area

44.929

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

8019-5933 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8019-5933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5933?
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What is the minimum amount of 8019-5933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5933
  • 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 8019-5933 available by request