3764-6528 Screening compound: 5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

3764-6528 Screening compound: 5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
3764-6528 Screening compound: 5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3764-6528
5-(4-{[2-(4-butylphenyl)quinazolin-4-yl]amino}phenoxy)-2-[2-(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

3764-6528

Molecular Formula

C39H29F3N4O3 (C39 H29 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1-c1nc2ccccc2c(Nc(cc2)ccc2Oc(cc2)cc(C(N3c4c(C(F)(F)F)cccc4)=O)c2C3=O)n1

InChI

InChI=1S/C39H29F3N4O3/c1-2-3-8-24-13-15-25(16-14-24)35-44-33-11-6-4-9-30(33)36(45-35)43-26-17-19-27(20-18-26)49-28-21-22-29-31(23-28)38(48)46(37(29)47)34-12-7-5-10-32(34)39(40,41)42/h4-7,9-23H,2-3,8H2,1H3,(H,43,44,45)

InChI Key

JYSFASQYASSFKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

11.235

Distribution Coefficient, logD

10.978

Water Solubility, LogSw

-5.90

Polar Surface Area

62.893

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.80

3764-6528 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 3764-6528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3764-6528?
Check Price and Availability of 3764-6528, 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 3764-6528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3764-6528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3764-6528
  • 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 3764-6528 available by request