3825-6920 Screening compound: N-(3-chloro-4-methylphenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

3825-6920 Screening compound: N-(3-chloro-4-methylphenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
3825-6920 Screening compound: N-(3-chloro-4-methylphenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-6920
N-(3-chloro-4-methylphenyl)-N-(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

3825-6920

Molecular Formula

C17H16ClN3S (C17 H16 ClN3 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methylphenyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

Cc(ccc(Nc1ncnc2c1c(CCCC1)c1s2)c1)c1Cl

InChI

InChI=1S/C17H16ClN3S/c1-10-6-7-11(8-13(10)18)21-16-15-12-4-2-3-5-14(12)22-17(15)20-9-19-16/h6-9H,2-5H2,1H3,(H,19,20,21)

InChI Key

OIWDTTRFLQBDTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02644237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.85

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

6.063

Distribution Coefficient, logD

6.062

Water Solubility, LogSw

-6.31

Polar Surface Area

30.626

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3825-6920 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3825-6920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-6920?
Check Price and Availability of 3825-6920, 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 3825-6920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-6920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-6920
  • 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 3825-6920 available by request