4112-0546 Screening compound: N-(3,4-dimethoxyphenethyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

4112-0546 Screening compound: N-(3,4-dimethoxyphenethyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
4112-0546 Screening compound: N-(3,4-dimethoxyphenethyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-0546
N-(3,4-dimethoxyphenethyl)-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

4112-0546

Molecular Formula

C20H23N3O2S (C20 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNc1c(c(CCCC2)c2s2)c2ncn1)c1)c1OC

InChI

InChI=1S/C20H23N3O2S/c1-24-15-8-7-13(11-16(15)25-2)9-10-21-19-18-14-5-3-4-6-17(14)26-20(18)23-12-22-19/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,21,22,23)

InChI Key

ZSKQZLPLYSPSHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00652926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.57

Polar Surface Area

47.050

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4112-0546 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4112-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-0546?
Check Price and Availability of 4112-0546, 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 4112-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-0546
  • 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 4112-0546 available by request