3764-6631 Screening compound: 5-(4-{[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino}phenoxy)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

3764-6631 Screening compound: 5-(4-{[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino}phenoxy)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
3764-6631 Screening compound: 5-(4-{[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino}phenoxy)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3764-6631
5-(4-{[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino}phenoxy)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

3764-6631

Molecular Formula

C37H25F3N4O5 (C37 H25 F3 N4 O5)

Compound Name

5-(4-{[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amino}phenoxy)-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(4-{[2-(34-dimethoxyphenyl)quinazolin-4-yl]amino}phenoxy)-2-[3-(trifluoromethyl)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

COc(ccc(-c1nc2ccccc2c(Nc(cc2)ccc2Oc(cc2)cc(C(N3c4cccc(C(F)(F)F)c4)=O)c2C3=O)n1)c1)c1OC

InChI

InChI=1S/C37H25F3N4O5/c1-47-31-17-10-21(18-32(31)48-2)33-42-30-9-4-3-8-28(30)34(43-33)41-23-11-13-25(14-12-23)49-26-15-16-27-29(20-26)36(46)44(35(27)45)24-7-5-6-22(19-24)37(38,39)40/h3-20H,1-2H3,(H,41,42,43)

InChI Key

QCIZPLFFZDWJCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

8.845

Distribution Coefficient, logD

8.239

Water Solubility, LogSw

-6.13

Polar Surface Area

78.455

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.10

3764-6631 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3764-6631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3764-6631?
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What is the minimum amount of 3764-6631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3764-6631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3764-6631
  • 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 3764-6631 available by request