D328-0055 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

D328-0055 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide
D328-0055 Screening compound: N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0055
N~1~-[(5-bromo-2-furyl)methyl]-N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-isobutoxybenzamide

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

D328-0055

Molecular Formula

C20H24BrNO5S (C20 H24 BrNO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)COc(cc1)ccc1C(N(Cc(o1)ccc1Br)C(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C20H24BrNO5S/c1-14(2)12-26-17-5-3-15(4-6-17)20(23)22(11-18-7-8-19(21)27-18)16-9-10-28(24,25)13-16/h3-8,14,16H,9-13H2,1-2H3/t16-/m0/s1

InChI Key

DFHPCCQXDIZSTI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08549531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.38

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

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.63

Polar Surface Area

59.455

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

-7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with D328-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0055?
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What is the minimum amount of D328-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0055
  • 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 D328-0055 available by request