8012-6001 Screening compound: 2-[4-(4-nitro-3-{[(pyridin-3-yl)methyl]amino}phenyl)piperazin-1-yl]ethan-1-ol

8012-6001 Screening compound: 2-[4-(4-nitro-3-{[(pyridin-3-yl)methyl]amino}phenyl)piperazin-1-yl]ethan-1-ol
8012-6001 Screening compound: 2-[4-(4-nitro-3-{[(pyridin-3-yl)methyl]amino}phenyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6001
2-[4-(4-nitro-3-{[(pyridin-3-yl)methyl]amino}phenyl)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

8012-6001

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

2-[4-(4-nitro-3-{[(pyridin-3-yl)methyl]amino}phenyl)piperazin-1-yl]ethan-1-ol

IUPAC name

2-[4-(4-nitro-3-{[(pyridin-3-yl)methyl]amino}phenyl)piperazin-1-yl]ethan-1-ol

SMILES

[O-][N+](c(ccc(N1CCN(CCO)CC1)c1)c1NCc1cnccc1)=O

InChI

InChI=1S/C18H23N5O3/c24-11-10-21-6-8-22(9-7-21)16-3-4-18(23(25)26)17(12-16)20-14-15-2-1-5-19-13-15/h1-5,12-13,20,24H,6-11,14H2

InChI Key

IHILVEGWVIQREZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

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

1.221

Distribution Coefficient, logD

1.060

Water Solubility, LogSw

-1.45

Polar Surface Area

76.272

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8012-6001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6001?
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What is the minimum amount of 8012-6001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6001
  • 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 8012-6001 available by request