D517-1239 Screening compound: 1-methyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

D517-1239 Screening compound: 1-methyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
D517-1239 Screening compound: 1-methyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D517-1239
1-methyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

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

D517-1239

Molecular Formula

C22H18N4O3 (C22 H18 N4 O3)

Compound Name

1-methyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-6-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

IUPAC name

1-methyl-5-(1-methyl-2-oxo-23-dihydro-1H-indol-3-yl)-6-phenyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CN(C(C1c2c(-c3ccccc3)[nH]c(N(C)C(N3)=O)c2C3=O)=O)c2c1cccc2

InChI

InChI=1S/C22H18N4O3/c1-25-14-11-7-6-10-13(14)15(21(25)28)16-17-19(26(2)22(29)24-20(17)27)23-18(16)12-8-4-3-5-9-12/h3-11,15,23H,1-2H3,(H,24,27,29)/t15-/m0/s1

InChI Key

JQEBJLCWQFDFOR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27590654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-3.35

Polar Surface Area

66.906

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D517-1239 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D517-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1239?
Check Price and Availability of D517-1239, 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 D517-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1239
  • 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 D517-1239 available by request