D328-0017 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)acetamide

D328-0017 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)acetamide
D328-0017 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0017
N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)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

D328-0017

Molecular Formula

C17H17BrFNO5S (C17 H17 BrFNO5 S)

Compound Name

N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(4-fluorophenoxy)acetamide

IUPAC name

N-[(5-bromofuran-2-yl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(4-fluorophenoxy)acetamide

SMILES

O=C(COc(cc1)ccc1F)N(Cc(o1)ccc1Br)C(CC1)CS1(=O)=O

InChI

InChI=1S/C17H17BrFNO5S/c18-16-6-5-15(25-16)9-20(13-7-8-26(22,23)11-13)17(21)10-24-14-3-1-12(19)2-4-14/h1-6,13H,7-11H2/t13-/m0/s1

InChI Key

ODDOMMVXVUMNHG-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD08549539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.41

Polar Surface Area

58.928

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D328-0017 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D328-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0017?
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What is the minimum amount of D328-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0017
  • 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 D328-0017 available by request