D517-1201 Screening compound: 6-(4-chlorophenyl)-1-methyl-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

D517-1201 Screening compound: 6-(4-chlorophenyl)-1-methyl-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
D517-1201 Screening compound: 6-(4-chlorophenyl)-1-methyl-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 D517-1201
6-(4-chlorophenyl)-1-methyl-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

D517-1201

Molecular Formula

C24H17ClN4O3 (C24 H17 ClN4 O3)

Compound Name

6-(4-chlorophenyl)-1-methyl-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-chlorophenyl)-1-methyl-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)ccc1Cl)c1C(c(cccc2)c2N2CC#C)C2=O)c1C(N1)=O)C1=O

InChI

InChI=1S/C24H17ClN4O3/c1-3-12-29-16-7-5-4-6-15(16)17(23(29)31)18-19-21(28(2)24(32)27-22(19)30)26-20(18)13-8-10-14(25)11-9-13/h1,4-11,17,26H,12H2,2H3,(H,27,30,32)/t17-/m0/s1

InChI Key

DNVPZORCUZTJNI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27590645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-4.94

Polar Surface Area

67.118

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D517-1201 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 D517-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D517-1201?
Check Price and Availability of D517-1201, 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 D517-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D517-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D517-1201
  • 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 D517-1201 available by request