D517-1120 Screening compound: 6-(2-methoxyphenyl)-1,3-dimethyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

D517-1120 Screening compound: 6-(2-methoxyphenyl)-1,3-dimethyl-5-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
D517-1120 Screening compound: 6-(2-methoxyphenyl)-1,3-dimethyl-5-(1-methyl-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 D517-1120
6-(2-methoxyphenyl)-1,3-dimethyl-5-(1-methyl-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

D517-1120

Molecular Formula

C24H22N4O4 (C24 H22 N4 O4)

Compound Name

6-(2-methoxyphenyl)-1,3-dimethyl-5-(1-methyl-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-(2-methoxyphenyl)-13-dimethyl-5-(1-methyl-2-oxo-23-dihydro-1H-indol-3-yl)-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CN(C(C1c2c(-c(cccc3)c3OC)[nH]c(N(C)C(N3C)=O)c2C3=O)=O)c2c1cccc2

InChI

InChI=1S/C24H22N4O4/c1-26-15-11-7-5-9-13(15)17(22(26)29)18-19-21(27(2)24(31)28(3)23(19)30)25-20(18)14-10-6-8-12-16(14)32-4/h5-12,17,25H,1-4H3/t17-/m0/s1

InChI Key

CCEBQVHWNXWCMK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27590637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-3.61

Polar Surface Area

65.622

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D517-1120 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D517-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1120?
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What is the minimum amount of D517-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1120
  • 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 D517-1120 available by request