C913-0102 Screening compound: N-(4-fluorobenzyl)-3-[3-(4-methoxybenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]propanamide

C913-0102 Screening compound: N-(4-fluorobenzyl)-3-[3-(4-methoxybenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]propanamide
C913-0102 Screening compound: N-(4-fluorobenzyl)-3-[3-(4-methoxybenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C913-0102
N-(4-fluorobenzyl)-3-[3-(4-methoxybenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]propanamide

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

C913-0102

Molecular Formula

C25H23FN4O3 (C25 H23 FN4 O3)

Compound Name

N-(4-fluorobenzyl)-3-[3-(4-methoxybenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]propanamide

IUPAC name

N-[(4-fluorophenyl)methyl]-3-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H4H-pyrido[23-d]pyrimidin-2-yl}propanamide

SMILES

COc1ccc(CN(C(CCC(NCc(cc2)ccc2F)=O)=Nc2ncccc22)C2=O)cc1

InChI

InChI=1S/C25H23FN4O3/c1-33-20-10-6-18(7-11-20)16-30-22(29-24-21(25(30)32)3-2-14-27-24)12-13-23(31)28-15-17-4-8-19(26)9-5-17/h2-11,14H,12-13,15-16H2,1H3,(H,28,31)

InChI Key

HYJDKJDSNXFHLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.47

Polar Surface Area

66.845

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C913-0102 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C913-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C913-0102?
Check Price and Availability of C913-0102, 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 C913-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C913-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C913-0102
  • 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 C913-0102 available by request