3909-8037 Screening compound: N-benzyl-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

3909-8037 Screening compound: N-benzyl-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
3909-8037 Screening compound: N-benzyl-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8037
N-benzyl-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

3909-8037

Molecular Formula

C17H17N3S (C17 H17 N3 S)

Compound Name

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

IUPAC name

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

SMILES

C(c1ccccc1)Nc1c(c(CCCC2)c2s2)c2ncn1

InChI

InChI=1S/C17H17N3S/c1-2-6-12(7-3-1)10-18-16-15-13-8-4-5-9-14(13)21-17(15)20-11-19-16/h1-3,6-7,11H,4-5,8-10H2,(H,18,19,20)

InChI Key

FSEIDWWJETXXGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.66

Polar Surface Area

31.948

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3909-8037 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3909-8037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8037?
Check Price and Availability of 3909-8037, 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 3909-8037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8037
  • 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 3909-8037 available by request