D341-0252 Screening compound: N-(4-methylbenzyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine

D341-0252 Screening compound: N-(4-methylbenzyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine
D341-0252 Screening compound: N-(4-methylbenzyl)-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D341-0252
N-(4-methylbenzyl)-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

D341-0252

Molecular Formula

C18H19N3S (C18 H19 N3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNc2c(c(CCCC3)c3s3)c3ncn2)cc1

InChI

InChI=1S/C18H19N3S/c1-12-6-8-13(9-7-12)10-19-17-16-14-4-2-3-5-15(14)22-18(16)21-11-20-17/h6-9,11H,2-5,10H2,1H3,(H,19,20,21)

InChI Key

DDQPAYQZIWCUPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04690526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.44

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

4.666

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.59

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

33.30

D341-0252 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D341-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D341-0252?
Check Price and Availability of D341-0252, 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 D341-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D341-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D341-0252
  • 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 D341-0252 available by request