D038-1036 Screening compound: N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)acetamide

D038-1036 Screening compound: N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)acetamide
D038-1036 Screening compound: N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-1-benzofuran-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-1036
N~1~-(4-chlorobenzyl)-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(5-isopropyl-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

D038-1036

Molecular Formula

C24H26ClNO4S (C24 H26 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)cc2c1occ2CC(N(Cc(cc1)ccc1Cl)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C24H26ClNO4S/c1-16(2)18-5-8-23-22(11-18)19(14-30-23)12-24(27)26(21-9-10-31(28,29)15-21)13-17-3-6-20(25)7-4-17/h3-8,11,14,16,21H,9-10,12-13,15H2,1-2H3/t21-/m0/s1

InChI Key

UIRZQWBVBHOMPK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06647822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.76

Polar Surface Area

52.892

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D038-1036 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D038-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-1036?
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What is the minimum amount of D038-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-1036
  • 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 D038-1036 available by request