D328-0022 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methylphenoxy)acetamide

D328-0022 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methylphenoxy)acetamide
D328-0022 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0022
N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(2-methylphenoxy)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

D328-0022

Molecular Formula

C18H20BrNO5S (C18 H20 BrNO5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCC(N(Cc(o1)ccc1Br)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C18H20BrNO5S/c1-13-4-2-3-5-16(13)24-11-18(21)20(10-15-6-7-17(19)25-15)14-8-9-26(22,23)12-14/h2-7,14H,8-12H2,1H3/t14-/m0/s1

InChI Key

NOZUOQSBIILBSU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08549528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.33

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

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.52

Polar Surface Area

59.014

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D328-0022 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D328-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0022?
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What is the minimum amount of D328-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0022
  • 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 D328-0022 available by request