G516-0137 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinazolin-4-amine

G516-0137 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinazolin-4-amine
G516-0137 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G516-0137
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methoxyphenyl)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

G516-0137

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinazolin-4-amine

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinazolin-4-amine

SMILES

CCOc(ccc(CCNc1nc(-c(cc2)ccc2OC)nc2ccccc12)c1)c1OCC

InChI

InChI=1S/C27H29N3O3/c1-4-32-24-15-10-19(18-25(24)33-5-2)16-17-28-27-22-8-6-7-9-23(22)29-26(30-27)20-11-13-21(31-3)14-12-20/h6-15,18H,4-5,16-17H2,1-3H3,(H,28,29,30)

InChI Key

RNAOCKXDSOQPOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.938

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.91

Polar Surface Area

50.933

Acid Dissociation Constant (pKa)

18.99

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G516-0137 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with G516-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G516-0137?
Check Price and Availability of G516-0137, 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 G516-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G516-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G516-0137
  • 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 G516-0137 available by request