8017-8005 Screening compound: 3-[5-(4-ethoxyphenyl)-1-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethyl-2(1H)-pyridinone

8017-8005 Screening compound: 3-[5-(4-ethoxyphenyl)-1-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethyl-2(1H)-pyridinone
8017-8005 Screening compound: 3-[5-(4-ethoxyphenyl)-1-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethyl-2(1H)-pyridinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8005
3-[5-(4-ethoxyphenyl)-1-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethyl-2(1H)-pyridinone

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

8017-8005

Molecular Formula

C24H24FN3O2 (C24 H24 FN3 O2)

Compound Name

3-[5-(4-ethoxyphenyl)-1-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethyl-2(1H)-pyridinone

IUPAC name

3-[5-(4-ethoxyphenyl)-1-(2-fluorophenyl)-45-dihydro-1H-pyrazol-3-yl]-46-dimethyl-12-dihydropyridin-2-one

SMILES

CCOc1ccc(C(C2)N(c(cccc3)c3F)N=C2C2=C(C)C=C(C)NC2=O)cc1

InChI

InChI=1S/C24H24FN3O2/c1-4-30-18-11-9-17(10-12-18)22-14-20(23-15(2)13-16(3)26-24(23)29)27-28(22)21-8-6-5-7-19(21)25/h5-13,22H,4,14H2,1-3H3,(H,26,29)/t22-/m0/s1

InChI Key

NDJYLCZZDJHMCF-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06618337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

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

4.802

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-4.39

Polar Surface Area

45.475

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8017-8005 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8005?
Check Price and Availability of 8017-8005, 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 8017-8005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8005
  • 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 8017-8005 available by request