8017-3639 Screening compound: 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

8017-3639 Screening compound: 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
8017-3639 Screening compound: 1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3639
1-benzyl-5-(methoxymethyl)-7-methyl-2-(4-methylphenyl)-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

8017-3639

Molecular Formula

C24H25N3O2 (C24 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(N2)N(Cc3ccccc3)c(nc(C)cc3COC)c3C2=O)cc1

InChI

InChI=1S/C24H25N3O2/c1-16-9-11-19(12-10-16)22-26-24(28)21-20(15-29-3)13-17(2)25-23(21)27(22)14-18-7-5-4-6-8-18/h4-13,22H,14-15H2,1-3H3,(H,26,28)/t22-/m0/s1

InChI Key

UFFVTUBESARHQD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06016200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

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

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.40

Polar Surface Area

45.210

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8017-3639 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-3639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3639?
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What is the minimum amount of 8017-3639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3639
  • 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 8017-3639 available by request