8005-4057 Screening compound: N-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-[4-({4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}carbamoyl)phenoxy]benzamide

8005-4057 Screening compound: N-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-[4-({4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}carbamoyl)phenoxy]benzamide
8005-4057 Screening compound: N-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-[4-({4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}carbamoyl)phenoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4057
N-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-[4-({4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}carbamoyl)phenoxy]benzamide

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

8005-4057

Molecular Formula

C42H24N2O11 (C42 H24 N2 O11)

Compound Name

N-{4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-[4-({4-[(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)oxy]phenyl}carbamoyl)phenoxy]benzamide

IUPAC name

N-{4-[(13-dioxo-13-dihydro-2-benzofuran-5-yl)oxy]phenyl}-4-[4-({4-[(13-dioxo-13-dihydro-2-benzofuran-5-yl)oxy]phenyl}carbamoyl)phenoxy]benzamide

SMILES

O=C(c(cc1)ccc1Oc(cc1)ccc1C(Nc(cc1)ccc1Oc(cc1)cc(C(O2)=O)c1C2=O)=O)Nc(cc1)ccc1Oc(cc1)cc(C(O2)=O)c1C2=O

InChI

InChI=1S/C42H24N2O11/c45-37(43-25-5-13-29(14-6-25)52-31-17-19-33-35(21-31)41(49)54-39(33)47)23-1-9-27(10-2-23)51-28-11-3-24(4-12-28)38(46)44-26-7-15-30(16-8-26)53-32-18-20-34-36(22-32)42(50)55-40(34)48/h1-22H,(H,43,45)(H,44,46)

InChI Key

ASVMZFKGRISIKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00303986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

732.66

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

7.025

Distribution Coefficient, logD

7.025

Water Solubility, LogSw

-6.23

Polar Surface Area

136.912

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8005-4057 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8005-4057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4057?
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What is the minimum amount of 8005-4057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4057
  • 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 8005-4057 available by request