D328-0242 Screening compound: N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide

D328-0242 Screening compound: N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
D328-0242 Screening compound: N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D328-0242
N~2~-[(5-bromo-2-furyl)methyl]-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide

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

D328-0242

Molecular Formula

C20H20BrNO5S (C20 H20 BrNO5 S)

Compound Name

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

IUPAC name

N-[(5-bromofuran-2-yl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-35-dimethyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc(o2)ccc2Br)C(CC2)CS2(=O)=O)=O)oc2c1cc(C)cc2

InChI

InChI=1S/C20H20BrNO5S/c1-12-3-5-17-16(9-12)13(2)19(27-17)20(23)22(10-15-4-6-18(21)26-15)14-7-8-28(24,25)11-14/h3-6,9,14H,7-8,10-11H2,1-2H3/t14-/m0/s1

InChI Key

AOWVSJNJXDDQGC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08550132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.35

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

3.705

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-3.84

Polar Surface Area

60.482

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with D328-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D328-0242?
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What is the minimum amount of D328-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D328-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D328-0242
  • 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 D328-0242 available by request