D328-0076 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-propoxybenzamide

D328-0076 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-propoxybenzamide
D328-0076 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0076
N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-propoxybenzamide

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

D328-0076

Molecular Formula

C19H22BrNO5S (C19 H22 BrNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1cccc(C(N(Cc(o2)ccc2Br)C(CC2)CS2(=O)=O)=O)c1

InChI

InChI=1S/C19H22BrNO5S/c1-2-9-25-16-5-3-4-14(11-16)19(22)21(12-17-6-7-18(20)26-17)15-8-10-27(23,24)13-15/h3-7,11,15H,2,8-10,12-13H2,1H3/t15-/m0/s1

InChI Key

AOERPCILEIHHNF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08549549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

3.111

Water Solubility, LogSw

-3.30

Polar Surface Area

59.374

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D328-0076 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 D328-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0076?
Check Price and Availability of D328-0076, 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 D328-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0076
  • 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 D328-0076 available by request