4299-1972 Screening compound: 2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol

4299-1972 Screening compound: 2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
4299-1972 Screening compound: 2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-1972
2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol

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

4299-1972

Molecular Formula

C17H22N4O4 (C17 H22 N4 O4)

Compound Name

2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol

IUPAC name

2-[4-(3-{[(furan-2-yl)methyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol

SMILES

[O-][N+](c(ccc(N1CCN(CCO)CC1)c1)c1NCc1ccco1)=O

InChI

InChI=1S/C17H22N4O4/c22-10-9-19-5-7-20(8-6-19)14-3-4-17(21(23)24)16(12-14)18-13-15-2-1-11-25-15/h1-4,11-12,18,22H,5-10,13H2

InChI Key

KHQBKAZNNDGEHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-2.43

Polar Surface Area

74.503

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

4299-1972 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4299-1972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-1972?
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What is the minimum amount of 4299-1972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-1972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-1972
  • 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 4299-1972 available by request