3651-6383 Screening compound: 5-{4-[(quinazolin-4-yl)amino]phenoxy}-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

3651-6383 Screening compound: 5-{4-[(quinazolin-4-yl)amino]phenoxy}-2-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
3651-6383 Screening compound: 5-{4-[(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 3651-6383
5-{4-[(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

3651-6383

Molecular Formula

C29H17F3N4O3 (C29 H17 F3 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(ccc(Oc(cc1)ccc1Nc1ncnc2ccccc12)c1)c1C1=O)N1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C29H17F3N4O3/c30-29(31,32)17-4-3-5-19(14-17)36-27(37)22-13-12-21(15-24(22)28(36)38)39-20-10-8-18(9-11-20)35-26-23-6-1-2-7-25(23)33-16-34-26/h1-16H,(H,33,34,35)

InChI Key

MTROGAXBTFZNDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.788

Distribution Coefficient, logD

6.786

Water Solubility, LogSw

-6.53

Polar Surface Area

64.705

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

References: we are preparing a list of scientific research reports with 3651-6383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3651-6383?
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What is the minimum amount of 3651-6383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3651-6383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3651-6383
  • 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 3651-6383 available by request