3825-6911 Screening compound: ethyl 4-{[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate

3825-6911 Screening compound: ethyl 4-{[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate
3825-6911 Screening compound: ethyl 4-{[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]amino}quinazoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3825-6911
ethyl 4-{[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-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

3825-6911

Molecular Formula

C32H21F3N4O5 (C32 H21 F3 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1nc2ccccc2c(Nc(cc2)ccc2Oc(cc2)cc(C(N3c4c(C(F)(F)F)cccc4)=O)c2C3=O)n1)=O

InChI

InChI=1S/C32H21F3N4O5/c1-2-43-31(42)28-37-25-9-5-3-7-22(25)27(38-28)36-18-11-13-19(14-12-18)44-20-15-16-21-23(17-20)30(41)39(29(21)40)26-10-6-4-8-24(26)32(33,34)35/h3-17H,2H2,1H3,(H,36,37,38)

InChI Key

ZKQZSJKBOKZZBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02644232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.394

Distribution Coefficient, logD

7.394

Water Solubility, LogSw

-5.97

Polar Surface Area

83.919

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.40

References: we are preparing a list of scientific research reports with 3825-6911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3825-6911?
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What is the minimum amount of 3825-6911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3825-6911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3825-6911
  • 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 3825-6911 available by request