8011-9491 Screening compound: {2,6-dimethyl-7-[(4-phenylpiperazino)carbonyl]furo[2,3-f][1]benzofuran-3-yl}(4-phenylpiperazino)methanone

8011-9491 Screening compound: {2,6-dimethyl-7-[(4-phenylpiperazino)carbonyl]furo[2,3-f][1]benzofuran-3-yl}(4-phenylpiperazino)methanone
8011-9491 Screening compound: {2,6-dimethyl-7-[(4-phenylpiperazino)carbonyl]furo[2,3-f][1]benzofuran-3-yl}(4-phenylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9491
{2,6-dimethyl-7-[(4-phenylpiperazino)carbonyl]furo[2,3-f][1]benzofuran-3-yl}(4-phenylpiperazino)methanone

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

8011-9491

Molecular Formula

C34H34N4O4 (C34 H34 N4 O4)

Compound Name

{2,6-dimethyl-7-[(4-phenylpiperazino)carbonyl]furo[2,3-f][1]benzofuran-3-yl}(4-phenylpiperazino)methanone

IUPAC name

1-[511-dimethyl-12-(4-phenylpiperazine-1-carbonyl)-410-dioxatricyclo[7.3.0.0^{37}]dodeca-13(7)5811-pentaene-6-carbonyl]-4-phenylpiperazine

SMILES

Cc(oc1c2)c(C(N(CC3)CCN3c3ccccc3)=O)c1cc1c2c(C(N(CC2)CCN2c2ccccc2)=O)c(C)o1

InChI

InChI=1S/C34H34N4O4/c1-23-31(33(39)37-17-13-35(14-18-37)25-9-5-3-6-10-25)27-21-30-28(22-29(27)41-23)32(24(2)42-30)34(40)38-19-15-36(16-20-38)26-11-7-4-8-12-26/h3-12,21-22H,13-20H2,1-2H3

InChI Key

XNTWYGZVHJWNPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02128092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-5.38

Polar Surface Area

55.950

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

8011-9491 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8011-9491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9491?
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What is the minimum amount of 8011-9491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9491
  • 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 8011-9491 available by request