D132-0074 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate

D132-0074 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
D132-0074 Screening compound: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D132-0074
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate

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

D132-0074

Molecular Formula

C29H28O5 (C29 H28 O5)

Compound Name

6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate

IUPAC name

6-(4-methoxyphenyl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1C(OC(c1c(C)oc(C)c11)=CC(c(cc2)ccc2OC)=CC1=O)=O

InChI

InChI=1S/C29H28O5/c1-17-26-24(30)15-21(19-9-13-23(32-6)14-10-19)16-25(27(26)18(2)33-17)34-28(31)20-7-11-22(12-8-20)29(3,4)5/h7-16H,1-6H3

InChI Key

PQXMDOGBSZQQCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.635

Distribution Coefficient, logD

6.635

Water Solubility, LogSw

-5.96

Polar Surface Area

49.059

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

D132-0074 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D132-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D132-0074?
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What is the minimum amount of D132-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D132-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D132-0074
  • 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 D132-0074 available by request