4112-4246 Screening compound: N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-naphthyl)amine

4112-4246 Screening compound: N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-naphthyl)amine
4112-4246 Screening compound: N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-naphthyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-4246
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-naphthyl)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

4112-4246

Molecular Formula

C18H15N3S (C18 H15 N3 S)

Compound Name

N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-naphthyl)amine

IUPAC name

56-dimethyl-N-(naphthalen-2-yl)thieno[23-d]pyrimidin-4-amine

SMILES

Cc1c(C)sc2ncnc(Nc3cc4ccccc4cc3)c12

InChI

InChI=1S/C18H15N3S/c1-11-12(2)22-18-16(11)17(19-10-20-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-10H,1-2H3,(H,19,20,21)

InChI Key

PQHPZEMFCFNZJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02330512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.4

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

5.431

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-6.43

Polar Surface Area

30.434

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

4112-4246 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4112-4246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-4246?
Check Price and Availability of 4112-4246, 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 4112-4246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-4246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-4246
  • 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 4112-4246 available by request