D038-1041 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)-N~1~-(4-isopropylbenzyl)acetamide

D038-1041 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)-N~1~-(4-isopropylbenzyl)acetamide
D038-1041 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)-N~1~-(4-isopropylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-1041
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)-N~1~-(4-isopropylbenzyl)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

D038-1041

Molecular Formula

C27H33NO4S (C27 H33 NO4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)-N~1~-(4-isopropylbenzyl)acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide

SMILES

CC(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(Cc2coc3c2cc(C(C)C)cc3)=O)cc1

InChI

InChI=1S/C27H33NO4S/c1-18(2)21-7-5-20(6-8-21)15-28(24-11-12-33(30,31)17-24)27(29)14-23-16-32-26-10-9-22(19(3)4)13-25(23)26/h5-10,13,16,18-19,24H,11-12,14-15,17H2,1-4H3/t24-/m1/s1

InChI Key

IBYVAQQIHHXWDQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD06647819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-4.78

Polar Surface Area

52.892

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

D038-1041 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GABA Library (7115 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D038-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-1041?
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What is the minimum amount of D038-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-1041
  • 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 D038-1041 available by request