C227-0046 Screening compound: N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide

C227-0046 Screening compound: N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
C227-0046 Screening compound: N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C227-0046
N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide

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

C227-0046

Molecular Formula

C29H34N6O4 (C29 H34 N6 O4)

Compound Name

N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide

IUPAC name

N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide

SMILES

Cc1c(cc(cc2)NC(CCC(N(CC3)CCN3c(cc3)ccc3[N+]([O-])=O)=O)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C29H34N6O4/c1-21-19-27(33-13-3-2-4-14-33)31-26-10-5-22(20-25(21)26)30-28(36)11-12-29(37)34-17-15-32(16-18-34)23-6-8-24(9-7-23)35(38)39/h5-10,19-20H,2-4,11-18H2,1H3,(H,30,36)

InChI Key

WFIAONQEJBMYJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.60

Polar Surface Area

87.397

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C227-0046 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C227-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C227-0046?
Check Price and Availability of C227-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C227-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C227-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C227-0046
  • 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 C227-0046 available by request