D328-0031 Screening compound: N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-furamide

D328-0031 Screening compound: N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-furamide
D328-0031 Screening compound: N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0031
N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-furamide

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

D328-0031

Molecular Formula

C14H14BrNO5S (C14 H14 BrNO5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccco1)N(Cc(o1)ccc1Br)C(CC1)CS1(=O)=O

InChI

InChI=1S/C14H14BrNO5S/c15-13-4-3-11(21-13)8-16(10-5-7-22(18,19)9-10)14(17)12-2-1-6-20-12/h1-4,6,10H,5,7-9H2/t10-/m0/s1

InChI Key

RQYHVJFLJBKSGV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD08549350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.367

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-2.08

Polar Surface Area

60.534

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

D328-0031 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D328-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0031?
Check Price and Availability of D328-0031, 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 D328-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0031
  • 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 D328-0031 available by request