6861-0192 Screening compound: N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-tert-butylbenzamide

6861-0192 Screening compound: N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-tert-butylbenzamide
6861-0192 Screening compound: N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0192
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-tert-butylbenzamide

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

6861-0192

Molecular Formula

C26H22BrNO3 (C26 H22 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1c(C(c(cc2)ccc2Br)=O)oc2c1cccc2)=O

InChI

InChI=1S/C26H22BrNO3/c1-26(2,3)18-12-8-17(9-13-18)25(30)28-22-20-6-4-5-7-21(20)31-24(22)23(29)16-10-14-19(27)15-11-16/h4-15H,1-3H3,(H,28,30)

InChI Key

UPKBTDOWINUKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06319940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.175

Distribution Coefficient, logD

7.131

Water Solubility, LogSw

-6.06

Polar Surface Area

43.927

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

6861-0192 in Drug Discovery

Included in Screening Libraries

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

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 6861-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0192?
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What is the minimum amount of 6861-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0192
  • 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 6861-0192 available by request