D328-0040 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(3-methylphenoxy)acetamide

D328-0040 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(3-methylphenoxy)acetamide
D328-0040 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0040
N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-(3-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

D328-0040

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-(3-methylphenoxy)acetamide

IUPAC name

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

SMILES

Cc1cccc(OCC(N(Cc(o2)ccc2Br)C(CC2)CS2(=O)=O)=O)c1

InChI

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

InChI Key

PKTGMFPTJYAECH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08549542

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

2.442

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-2.66

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

38.90

D328-0040 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 D328-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0040?
Check Price and Availability of D328-0040, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D328-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0040
  • 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 D328-0040 available by request