6861-0558 Screening compound: N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-butoxybenzamide

6861-0558 Screening compound: N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-butoxybenzamide
6861-0558 Screening compound: N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0558
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-butoxybenzamide

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

6861-0558

Molecular Formula

C26H22BrNO4 (C26 H22 BrNO4)

Compound Name

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-butoxybenzamide

IUPAC name

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-butoxybenzamide

SMILES

CCCCOc1cccc(C(Nc2c(C(c(cc3)ccc3Br)=O)oc3c2cccc3)=O)c1

InChI

InChI=1S/C26H22BrNO4/c1-2-3-15-31-20-8-6-7-18(16-20)26(30)28-23-21-9-4-5-10-22(21)32-25(23)24(29)17-11-13-19(27)14-12-17/h4-14,16H,2-3,15H2,1H3,(H,28,30)

InChI Key

BPOABFAVRWMUKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06320212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.893

Distribution Coefficient, logD

6.885

Water Solubility, LogSw

-5.94

Polar Surface Area

51.345

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6861-0558 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6861-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0558?
Check Price and Availability of 6861-0558, 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 6861-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0558
  • 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 6861-0558 available by request