F509-0466 Screening compound: 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

F509-0466 Screening compound: 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
F509-0466 Screening compound: 2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F509-0466
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

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

F509-0466

Molecular Formula

C23H24ClN5O3 (C23 H24 ClN5 O3)

Compound Name

2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-3-yl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide

IUPAC name

2-[7-(4-chlorophenyl)-56-dimethyl-4-oxo-3H4H7H-pyrrolo[23-d]pyrimidin-3-yl]-N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]acetamide

SMILES

Cc(c1c2N=CN(CC(NCCc3c(C)onc3C)=O)C1=O)c(C)n2-c(cc1)ccc1Cl

InChI

InChI=1S/C23H24ClN5O3/c1-13-15(3)29(18-7-5-17(24)6-8-18)22-21(13)23(31)28(12-26-22)11-20(30)25-10-9-19-14(2)27-32-16(19)4/h5-8,12H,9-11H2,1-4H3,(H,25,30)

InChI Key

CKRMPWTVHBHSND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.59

Polar Surface Area

75.016

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F509-0466 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F509-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F509-0466?
Check Price and Availability of F509-0466, 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 F509-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F509-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F509-0466
  • 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 F509-0466 available by request