5395-2113 Screening compound: N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)quinazolin-4-amine

5395-2113 Screening compound: N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)quinazolin-4-amine
5395-2113 Screening compound: N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5395-2113
N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)quinazolin-4-amine

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

5395-2113

Molecular Formula

C20H23N5O2 (C20 H23 N5 O2)

Compound Name

N-(2,4-dimethoxyphenyl)-2-(piperazin-1-yl)quinazolin-4-amine

IUPAC name

N-(24-dimethoxyphenyl)-2-(piperazin-1-yl)quinazolin-4-amine

SMILES

COc(cc1)cc(OC)c1Nc1nc(N2CCNCC2)nc2ccccc12

InChI

InChI=1S/C20H23N5O2/c1-26-14-7-8-17(18(13-14)27-2)22-19-15-5-3-4-6-16(15)23-20(24-19)25-11-9-21-10-12-25/h3-8,13,21H,9-12H2,1-2H3,(H,22,23,24)

InChI Key

RUEPBSBZSRTGFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03306435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-4.10

Polar Surface Area

56.893

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5395-2113 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 5395-2113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5395-2113?
Check Price and Availability of 5395-2113, 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 5395-2113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5395-2113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5395-2113
  • 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 5395-2113 available by request