C711-0458 Screening compound: methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

C711-0458 Screening compound: methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
C711-0458 Screening compound: methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C711-0458
methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

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

C711-0458

Molecular Formula

C30H26N2O5 (C30 H26 N2 O5)

Compound Name

methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

IUPAC name

methyl (2Z)-2-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-23-dihydro-1-benzofuran-5-carboxylate

SMILES

CC(C)COc(cc1)ccc1-c(c(/C=C1\Oc(ccc(C(OC)=O)c2)c2C1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C30H26N2O5/c1-19(2)18-36-24-12-9-20(10-13-24)28-22(17-32(31-28)23-7-5-4-6-8-23)16-27-29(33)25-15-21(30(34)35-3)11-14-26(25)37-27/h4-17,19H,18H2,1-3H3

InChI Key

CPKWIVDZFXVFKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06644846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.507

Distribution Coefficient, logD

6.507

Water Solubility, LogSw

-5.68

Polar Surface Area

64.669

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C711-0458 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C711-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C711-0458?
Check Price and Availability of C711-0458, 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 C711-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C711-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C711-0458
  • 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 C711-0458 available by request