D517-1077 Screening compound: 1,3-dimethyl-6-(naphthalen-2-yl)-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

D517-1077 Screening compound: 1,3-dimethyl-6-(naphthalen-2-yl)-5-(2-oxo-2,3-dihydro-1H-indol-3-yl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
D517-1077 Screening compound: 1,3-dimethyl-6-(naphthalen-2-yl)-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 D517-1077
1,3-dimethyl-6-(naphthalen-2-yl)-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

D517-1077

Molecular Formula

C26H20N4O3 (C26 H20 N4 O3)

Compound Name

1,3-dimethyl-6-(naphthalen-2-yl)-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

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

SMILES

CN(c([nH]c(-c1cc2ccccc2cc1)c1C(c(cccc2)c2N2)C2=O)c1C(N1C)=O)C1=O

InChI

InChI=1S/C26H20N4O3/c1-29-23-21(25(32)30(2)26(29)33)20(19-17-9-5-6-10-18(17)27-24(19)31)22(28-23)16-12-11-14-7-3-4-8-15(14)13-16/h3-13,19,28H,1-2H3,(H,27,31)/t19-/m0/s1

InChI Key

SJYUYMIUTZQZGF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27590624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.47

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

4.342

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.62

Polar Surface Area

67.458

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

D517-1077 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • 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 D517-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1077?
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What is the minimum amount of D517-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1077
  • 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 D517-1077 available by request