8017-8593 Screening compound: 1,2-bis(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

8017-8593 Screening compound: 1,2-bis(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
8017-8593 Screening compound: 1,2-bis(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 8017-8593
1,2-bis(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

8017-8593

Molecular Formula

C22H19F2N3O2 (C22 H19 F2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(COC)c(C(NC(c(cc2)ccc2F)N2c(cc3)ccc3F)=O)c2n1

InChI

InChI=1S/C22H19F2N3O2/c1-13-11-15(12-29-2)19-21(25-13)27(18-9-7-17(24)8-10-18)20(26-22(19)28)14-3-5-16(23)6-4-14/h3-11,20H,12H2,1-2H3,(H,26,28)/t20-/m0/s1

InChI Key

VBADMKOEWQXXGT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06618792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.895

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.20

Polar Surface Area

44.598

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

8017-8593 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 8017-8593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8593?
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What is the minimum amount of 8017-8593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8593
  • 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 8017-8593 available by request