3909-7542 Screening compound: ethyl 2,5-dimethyl-4-(phenylamino)thieno[2,3-d]pyrimidine-6-carboxylate

3909-7542 Screening compound: ethyl 2,5-dimethyl-4-(phenylamino)thieno[2,3-d]pyrimidine-6-carboxylate
3909-7542 Screening compound: ethyl 2,5-dimethyl-4-(phenylamino)thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-7542
ethyl 2,5-dimethyl-4-(phenylamino)thieno[2,3-d]pyrimidine-6-carboxylate

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

3909-7542

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

ethyl 2,5-dimethyl-4-(phenylamino)thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

ethyl 25-dimethyl-4-(phenylamino)thieno[23-d]pyrimidine-6-carboxylate

SMILES

CCOC(c1c(C)c2c(Nc3ccccc3)nc(C)nc2s1)=O

InChI

InChI=1S/C17H17N3O2S/c1-4-22-17(21)14-10(2)13-15(18-11(3)19-16(13)23-14)20-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,18,19,20)

InChI Key

CXSQPXQHUQKWPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04778141

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.37

Polar Surface Area

49.833

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3909-7542 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3909-7542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-7542?
Check Price and Availability of 3909-7542, 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 3909-7542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-7542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-7542
  • 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 3909-7542 available by request