3825-7085 Screening compound: N-(2-fluorophenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

3825-7085 Screening compound: N-(2-fluorophenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
3825-7085 Screening compound: N-(2-fluorophenyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-7085
N-(2-fluorophenyl)-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

3825-7085

Molecular Formula

C16H14FN3S (C16 H14 FN3 S)

Compound Name

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

IUPAC name

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

SMILES

Fc(cccc1)c1Nc1c(c(CCCC2)c2s2)c2ncn1

InChI

InChI=1S/C16H14FN3S/c17-11-6-2-3-7-12(11)20-15-14-10-5-1-4-8-13(10)21-16(14)19-9-18-15/h2-3,6-7,9H,1,4-5,8H2,(H,18,19,20)

InChI Key

KPDKGWVYFXQLRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01326373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

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

4.769

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-5.00

Polar Surface Area

29.928

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3825-7085 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3825-7085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-7085?
Check Price and Availability of 3825-7085, 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 3825-7085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-7085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-7085
  • 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 3825-7085 available by request