D517-1061 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-5-[2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-yl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

D517-1061 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-5-[2-oxo-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indol-3-yl]-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
D517-1061 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-5-[2-oxo-1-(prop-2-yn-1-yl)-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 D517-1061
6-(4-methoxyphenyl)-1,3-dimethyl-5-[2-oxo-1-(prop-2-yn-1-yl)-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

D517-1061

Molecular Formula

C26H22N4O4 (C26 H22 N4 O4)

Compound Name

6-(4-methoxyphenyl)-1,3-dimethyl-5-[2-oxo-1-(prop-2-yn-1-yl)-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)-13-dimethyl-5-[2-oxo-1-(prop-2-yn-1-yl)-23-dihydro-1H-indol-3-yl]-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CN(c([nH]c(-c(cc1)ccc1OC)c1C(c(cccc2)c2N2CC#C)C2=O)c1C(N1C)=O)C1=O

InChI

InChI=1S/C26H22N4O4/c1-5-14-30-18-9-7-6-8-17(18)19(25(30)32)20-21-23(28(2)26(33)29(3)24(21)31)27-22(20)15-10-12-16(34-4)13-11-15/h1,6-13,19,27H,14H2,2-4H3/t19-/m0/s1

InChI Key

JZZDCFUDHOLACT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27590620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-4.35

Polar Surface Area

65.748

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

D517-1061 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D517-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1061?
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What is the minimum amount of D517-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1061
  • 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 D517-1061 available by request