F254-3025 Screening compound: 7-(3,5-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

F254-3025 Screening compound: 7-(3,5-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
F254-3025 Screening compound: 7-(3,5-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F254-3025
7-(3,5-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethyl-7H-pyrrolo[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

F254-3025

Molecular Formula

C22H18F2N4O2 (C22 H18 F2 N4 O2)

Compound Name

7-(3,5-difluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

IUPAC name

7-(35-difluorophenyl)-N-(23-dihydro-14-benzodioxin-6-yl)-56-dimethyl-7H-pyrrolo[23-d]pyrimidin-4-amine

SMILES

Cc(c1c(Nc(cc2)cc3c2OCCO3)ncnc11)c(C)n1-c1cc(F)cc(F)c1

InChI

InChI=1S/C22H18F2N4O2/c1-12-13(2)28(17-8-14(23)7-15(24)9-17)22-20(12)21(25-11-26-22)27-16-3-4-18-19(10-16)30-6-5-29-18/h3-4,7-11H,5-6H2,1-2H3,(H,25,26,27)

InChI Key

ATGKWHOICHBLPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14945929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.39

Polar Surface Area

48.226

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F254-3025 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F254-3025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F254-3025?
Check Price and Availability of F254-3025, 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 F254-3025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F254-3025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F254-3025
  • 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 F254-3025 available by request