F082-0984 Screening compound: 3-(5-bromo-2-thienyl)-5-methyl-N~4~-[3-(4-methylpiperazino)propyl]-4-isoxazolecarboxamide

F082-0984 Screening compound: 3-(5-bromo-2-thienyl)-5-methyl-N~4~-[3-(4-methylpiperazino)propyl]-4-isoxazolecarboxamide
F082-0984 Screening compound: 3-(5-bromo-2-thienyl)-5-methyl-N~4~-[3-(4-methylpiperazino)propyl]-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F082-0984
3-(5-bromo-2-thienyl)-5-methyl-N~4~-[3-(4-methylpiperazino)propyl]-4-isoxazolecarboxamide

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

F082-0984

Molecular Formula

C17H23BrN4O2S (C17 H23 BrN4 O2 S)

Compound Name

3-(5-bromo-2-thienyl)-5-methyl-N~4~-[3-(4-methylpiperazino)propyl]-4-isoxazolecarboxamide

IUPAC name

3-(5-bromothiophen-2-yl)-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCCCN2CCN(C)CC2)=O)c(-c(s2)ccc2Br)no1

InChI

InChI=1S/C17H23BrN4O2S/c1-12-15(16(20-24-12)13-4-5-14(18)25-13)17(23)19-6-3-7-22-10-8-21(2)9-11-22/h4-5H,3,6-11H2,1-2H3,(H,19,23)

InChI Key

YJUJLJTZIPZZHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.867

Distribution Coefficient, logD

0.717

Water Solubility, LogSw

-2.44

Polar Surface Area

54.931

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

References: we are preparing a list of scientific research reports with F082-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F082-0984?
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What is the minimum amount of F082-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F082-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F082-0984
  • 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 F082-0984 available by request