D038-1031 Screening compound: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

D038-1031 Screening compound: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
D038-1031 Screening compound: N-{4-[benzyl(methyl)sulfamoyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-1031
N-{4-[benzyl(methyl)sulfamoyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

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

D038-1031

Molecular Formula

C27H28N2O4S (C27 H28 N2 O4 S)

Compound Name

N-{4-[benzyl(methyl)sulfamoyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

IUPAC name

N-{4-[benzyl(methyl)sulfamoyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

SMILES

CC(C)c(cc1)cc2c1occ2CC(Nc(cc1)ccc1S(N(C)Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C27H28N2O4S/c1-19(2)21-9-14-26-25(15-21)22(18-33-26)16-27(30)28-23-10-12-24(13-11-23)34(31,32)29(3)17-20-7-5-4-6-8-20/h4-15,18-19H,16-17H2,1-3H3,(H,28,30)

InChI Key

USFPNPFXVCNNOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07520042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.533

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-5.52

Polar Surface Area

65.240

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D038-1031 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D038-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-1031?
Check Price and Availability of D038-1031, 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 D038-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-1031
  • 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 D038-1031 available by request