5055-6829 Screening compound: 4-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

5055-6829 Screening compound: 4-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
5055-6829 Screening compound: 4-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-6829
4-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]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

5055-6829

Molecular Formula

C19H19N5S (C19 H19 N5 S)

Compound Name

4-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

3-(56-dimethyl-1H-123-benzotriazol-1-yl)-5-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

Cc(c(C)c1)cc2c1nnn2-c1c(c(CCCC2)c2s2)c2nc(C)n1

InChI

InChI=1S/C19H19N5S/c1-10-8-14-15(9-11(10)2)24(23-22-14)18-17-13-6-4-5-7-16(13)25-19(17)21-12(3)20-18/h8-9H,4-7H2,1-3H3

InChI Key

ZMLWUGVANYFLAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-5.24

Polar Surface Area

44.943

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5055-6829 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5055-6829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-6829?
Check Price and Availability of 5055-6829, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5055-6829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-6829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-6829
  • 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 5055-6829 available by request