5055-7585 Screening compound: N-(3,4-dimethylphenyl)-N-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

5055-7585 Screening compound: N-(3,4-dimethylphenyl)-N-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
5055-7585 Screening compound: N-(3,4-dimethylphenyl)-N-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7585
N-(3,4-dimethylphenyl)-N-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

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

5055-7585

Molecular Formula

C19H21N3S (C19 H21 N3 S)

Compound Name

N-(3,4-dimethylphenyl)-N-(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

IUPAC name

N-(34-dimethylphenyl)-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

CC(CC1)Cc2c1c1c(Nc3cc(C)c(C)cc3)ncnc1s2

InChI

InChI=1S/C19H21N3S/c1-11-4-7-15-16(8-11)23-19-17(15)18(20-10-21-19)22-14-6-5-12(2)13(3)9-14/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,21,22)/t11-/m1/s1

InChI Key

MIQIHAHRUUWRKQ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02655024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.094

Distribution Coefficient, logD

6.093

Water Solubility, LogSw

-5.97

Polar Surface Area

30.626

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

5055-7585 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 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 5055-7585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7585?
Check Price and Availability of 5055-7585, 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 5055-7585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7585
  • 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 5055-7585 available by request