8017-3646 Screening compound: 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

8017-3646 Screening compound: 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
8017-3646 Screening compound: 1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3646
1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

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

8017-3646

Molecular Formula

C23H22FN3O2 (C23 H22 FN3 O2)

Compound Name

1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

IUPAC name

1-benzyl-2-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-1H2H3H4H-pyrido[23-d]pyrimidin-4-one

SMILES

Cc1cc(COC)c(C(NC(c(cc2)ccc2F)N2Cc3ccccc3)=O)c2n1

InChI

InChI=1S/C23H22FN3O2/c1-15-12-18(14-29-2)20-22(25-15)27(13-16-6-4-3-5-7-16)21(26-23(20)28)17-8-10-19(24)11-9-17/h3-12,21H,13-14H2,1-2H3,(H,26,28)/t21-/m0/s1

InChI Key

MYUADMGTSJVWNV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06016207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

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

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.16

Polar Surface Area

45.210

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8017-3646 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8017-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3646?
Check Price and Availability of 8017-3646, 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 8017-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3646
  • 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 8017-3646 available by request