5055-7465 Screening compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine

5055-7465 Screening compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
5055-7465 Screening compound: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-7465
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-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

5055-7465

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine

IUPAC name

N-[2-(23-dihydro-14-benzodioxin-6-yl)ethyl]-5-(34-dimethylphenyl)thieno[23-d]pyrimidin-4-amine

SMILES

Cc(cc1)c(C)cc1-c1csc2ncnc(NCCc(cc3)cc4c3OCCO4)c12

InChI

InChI=1S/C24H23N3O2S/c1-15-3-5-18(11-16(15)2)19-13-30-24-22(19)23(26-14-27-24)25-8-7-17-4-6-20-21(12-17)29-10-9-28-20/h3-6,11-14H,7-10H2,1-2H3,(H,25,26,27)

InChI Key

UZDBPIWELNFAOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.003

Water Solubility, LogSw

-4.76

Polar Surface Area

47.420

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5055-7465 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5055-7465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-7465?
Check Price and Availability of 5055-7465, 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 5055-7465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-7465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-7465
  • 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 5055-7465 available by request