C066-2521 Screening compound: 2-(1-methyl-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one

C066-2521 Screening compound: 2-(1-methyl-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one
C066-2521 Screening compound: 2-(1-methyl-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2521
2-(1-methyl-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one

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

C066-2521

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

2-(1-methyl-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(1-methyl-1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethan-1-one

SMILES

Cn1c(cccc2)c2c(CC(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)c1

InChI

InChI=1S/C21H22N4O3/c1-22-15-16(19-4-2-3-5-20(19)22)14-21(26)24-12-10-23(11-13-24)17-6-8-18(9-7-17)25(27)28/h2-9,15H,10-14H2,1H3

InChI Key

GXAYZVJDRPOVPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.35

Polar Surface Area

55.561

Acid Dissociation Constant (pKa)

18.35

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C066-2521 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-2521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2521?
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What is the minimum amount of C066-2521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2521
  • 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 C066-2521 available by request