D517-1113 Screening compound: 6-(2-methoxyphenyl)-1-methyl-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

D517-1113 Screening compound: 6-(2-methoxyphenyl)-1-methyl-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
D517-1113 Screening compound: 6-(2-methoxyphenyl)-1-methyl-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 D517-1113
6-(2-methoxyphenyl)-1-methyl-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

D517-1113

Molecular Formula

C23H20N4O4 (C23 H20 N4 O4)

Compound Name

6-(2-methoxyphenyl)-1-methyl-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)-1-methyl-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(N3)=O)c2C3=O)=O)c2c1cccc2

InChI

InChI=1S/C23H20N4O4/c1-26-14-10-6-4-8-12(14)16(22(26)29)17-18-20(27(2)23(30)25-21(18)28)24-19(17)13-9-5-7-11-15(13)31-3/h4-11,16,24H,1-3H3,(H,25,28,30)/t16-/m0/s1

InChI Key

FGRWGRHMIACNTM-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27590635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

1.826

Water Solubility, LogSw

-3.05

Polar Surface Area

74.536

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

D517-1113 in Drug Discovery

Included in Screening Libraries

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 D517-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1113?
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What is the minimum amount of D517-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1113
  • 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 D517-1113 available by request