D038-0984 Screening compound: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

D038-0984 Screening compound: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
D038-0984 Screening compound: N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0984
N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]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

D038-0984

Molecular Formula

C25H30N2O5S (C25 H30 N2 O5 S)

Compound Name

N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

IUPAC name

N-{4-[(26-dimethylmorpholin-4-yl)sulfonyl]phenyl}-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide

SMILES

CC(C)c(cc1)cc2c1occ2CC(Nc(cc1)ccc1S(N1CC(C)OC(C)C1)(=O)=O)=O

InChI

InChI=1S/C25H30N2O5S/c1-16(2)19-5-10-24-23(11-19)20(15-31-24)12-25(28)26-21-6-8-22(9-7-21)33(29,30)27-13-17(3)32-18(4)14-27/h5-11,15-18H,12-14H2,1-4H3,(H,26,28)

InChI Key

MFRGIFXDNZVGKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07520000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.195

Water Solubility, LogSw

-4.24

Polar Surface Area

71.319

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D038-0984 in Drug Discovery

Included in Screening Libraries

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

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 D038-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0984?
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What is the minimum amount of D038-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0984
  • 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 D038-0984 available by request