6861-0627 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

6861-0627 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
6861-0627 Screening compound: 2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6861-0627
2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

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

6861-0627

Molecular Formula

C29H29NO4 (C29 H29 NO4)

Compound Name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

IUPAC name

2-[5-methyl-2-(propan-2-yl)phenoxy]-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide

SMILES

CC(C)c(ccc(C)c1)c1OC(C)C(Nc1c(C(c2ccc(C)cc2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C29H29NO4/c1-17(2)22-15-12-19(4)16-25(22)33-20(5)29(32)30-26-23-8-6-7-9-24(23)34-28(26)27(31)21-13-10-18(3)11-14-21/h6-17,20H,1-5H3,(H,30,32)/t20-/m0/s1

InChI Key

XWYRYBHUBYNXAU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06320258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.353

Distribution Coefficient, logD

7.351

Water Solubility, LogSw

-5.91

Polar Surface Area

50.803

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

6861-0627 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 6861-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6861-0627?
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What is the minimum amount of 6861-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6861-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6861-0627
  • 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 6861-0627 available by request