6737-1664 Screening compound: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol

6737-1664 Screening compound: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol
6737-1664 Screening compound: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6737-1664
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol

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

6737-1664

Molecular Formula

C28H27FN2O4 (C28 H27 FN2 O4)

Compound Name

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol

IUPAC name

2-[4-(34-dihydro-2H-15-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol

SMILES

CCc(cc(-c1n[nH]c(C)c1-c(cc1)cc2c1OCCCO2)c(O)c1)c1OCc(cc1)ccc1F

InChI

InChI=1S/C28H27FN2O4/c1-3-19-13-22(23(32)15-25(19)35-16-18-5-8-21(29)9-6-18)28-27(17(2)30-31-28)20-7-10-24-26(14-20)34-12-4-11-33-24/h5-10,13-15,32H,3-4,11-12,16H2,1-2H3,(H,30,31)

InChI Key

JTSAQKROCCZMKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04032226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.000

Water Solubility, LogSw

-5.45

Polar Surface Area

63.820

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6737-1664 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6737-1664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6737-1664?
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What is the minimum amount of 6737-1664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6737-1664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6737-1664
  • 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 6737-1664 available by request