D163-0865 Screening compound: 3-(3-hydroxypropyl)-2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

D163-0865 Screening compound: 3-(3-hydroxypropyl)-2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one
D163-0865 Screening compound: 3-(3-hydroxypropyl)-2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D163-0865
3-(3-hydroxypropyl)-2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

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

D163-0865

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

3-(3-hydroxypropyl)-2-[(1E)-2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethenyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-(3-hydroxypropyl)-2-[(1E)-2-(5-methoxy-12-dimethyl-1H-indol-3-yl)ethenyl]-34-dihydroquinazolin-4-one

SMILES

Cc1c(/C=C/C(N2CCCO)=Nc(cccc3)c3C2=O)c(cc(cc2)OC)c2n1C

InChI

InChI=1S/C24H25N3O3/c1-16-18(20-15-17(30-3)9-11-22(20)26(16)2)10-12-23-25-21-8-5-4-7-19(21)24(29)27(23)13-6-14-28/h4-5,7-12,15,28H,6,13-14H2,1-3H3

InChI Key

FJJOGJZEPMRFJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06000795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-3.43

Polar Surface Area

51.937

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D163-0865 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 D163-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D163-0865?
Check Price and Availability of D163-0865, 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 D163-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D163-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D163-0865
  • 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 D163-0865 available by request