C711-0412 Screening compound: methyl (2Z)-2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

C711-0412 Screening compound: methyl (2Z)-2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
C711-0412 Screening compound: methyl (2Z)-2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C711-0412
methyl (2Z)-2-{[3-methoxy-4-(3-methylbutoxy)phenyl]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

C711-0412

Molecular Formula

C23H24O6 (C23 H24 O6)

Compound Name

methyl (2Z)-2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

IUPAC name

methyl (2Z)-2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-23-dihydro-1-benzofuran-5-carboxylate

SMILES

CC(C)CCOc(ccc(/C=C1\Oc(ccc(C(OC)=O)c2)c2C1=O)c1)c1OC

InChI

InChI=1S/C23H24O6/c1-14(2)9-10-28-19-7-5-15(11-20(19)26-3)12-21-22(24)17-13-16(23(25)27-4)6-8-18(17)29-21/h5-8,11-14H,9-10H2,1-4H3

InChI Key

SUSDWZDEMREDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07486102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

5.081

Water Solubility, LogSw

-4.85

Polar Surface Area

57.672

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C711-0412 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C711-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C711-0412?
Check Price and Availability of C711-0412, 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 C711-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C711-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C711-0412
  • 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 C711-0412 available by request