D517-1049 Screening compound: 6-(4-methoxyphenyl)-1-methyl-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

D517-1049 Screening compound: 6-(4-methoxyphenyl)-1-methyl-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
D517-1049 Screening compound: 6-(4-methoxyphenyl)-1-methyl-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D517-1049
6-(4-methoxyphenyl)-1-methyl-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-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

D517-1049

Molecular Formula

C22H18N4O4 (C22 H18 N4 O4)

Compound Name

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

IUPAC name

6-(4-methoxyphenyl)-1-methyl-5-(2-oxo-23-dihydro-1H-indol-3-yl)-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CN(c([nH]c(-c(cc1)ccc1OC)c1C(c(cccc2)c2N2)C2=O)c1C(N1)=O)C1=O

InChI

InChI=1S/C22H18N4O4/c1-26-19-17(21(28)25-22(26)29)16(15-13-5-3-4-6-14(13)23-20(15)27)18(24-19)11-7-9-12(30-2)10-8-11/h3-10,15,24H,1-2H3,(H,23,27)(H,25,28,29)/t15-/m0/s1

InChI Key

ZQYFUNNXCKDOJY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27590617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.489

Water Solubility, LogSw

-3.56

Polar Surface Area

84.187

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

D517-1049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D517-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1049?
Check Price and Availability of D517-1049, 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 D517-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1049
  • 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 D517-1049 available by request