D038-0513 Screening compound: 3-[2-(5-methyl-1-benzofuran-3-yl)acetamido]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

D038-0513 Screening compound: 3-[2-(5-methyl-1-benzofuran-3-yl)acetamido]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
D038-0513 Screening compound: 3-[2-(5-methyl-1-benzofuran-3-yl)acetamido]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0513
3-[2-(5-methyl-1-benzofuran-3-yl)acetamido]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

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

D038-0513

Molecular Formula

C27H22N2O4 (C27 H22 N2 O4)

Compound Name

3-[2-(5-methyl-1-benzofuran-3-yl)acetamido]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-[2-(5-methyl-1-benzofuran-3-yl)acetamido]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

SMILES

Cc(cc1)ccc1NC(c(oc1c2cccc1)c2NC(Cc1coc2c1cc(C)cc2)=O)=O

InChI

InChI=1S/C27H22N2O4/c1-16-7-10-19(11-8-16)28-27(31)26-25(20-5-3-4-6-23(20)33-26)29-24(30)14-18-15-32-22-12-9-17(2)13-21(18)22/h3-13,15H,14H2,1-2H3,(H,28,31)(H,29,30)

InChI Key

ZIDABLCSUNYMSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.595

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-5.70

Polar Surface Area

62.897

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D038-0513 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D038-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0513?
Check Price and Availability of D038-0513, 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 D038-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0513
  • 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 D038-0513 available by request