3825-6832 Screening compound: ethyl 4-{[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate

3825-6832 Screening compound: ethyl 4-{[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate
3825-6832 Screening compound: ethyl 4-{[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-6832
ethyl 4-{[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate

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

3825-6832

Molecular Formula

C30H22N4O6 (C30 H22 N4 O6)

Compound Name

ethyl 4-{[4-({2-[(furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate

IUPAC name

ethyl 4-{[4-({2-[(furan-2-yl)methyl]-13-dioxo-23-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate

SMILES

CCOC(c1nc2ccccc2c(Nc(cc2)ccc2Oc(cc2)cc(C(N3Cc4ccco4)=O)c2C3=O)n1)=O

InChI

InChI=1S/C30H22N4O6/c1-2-38-30(37)27-32-25-8-4-3-7-23(25)26(33-27)31-18-9-11-19(12-10-18)40-20-13-14-22-24(16-20)29(36)34(28(22)35)17-21-6-5-15-39-21/h3-16H,2,17H2,1H3,(H,31,32,33)

InChI Key

PHINGZRADURIDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02644166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-5.74

Polar Surface Area

92.580

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3825-6832 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3825-6832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-6832?
Check Price and Availability of 3825-6832, 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 3825-6832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-6832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-6832
  • 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 3825-6832 available by request