6048-0018 Screening compound: tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

6048-0018 Screening compound: tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
6048-0018 Screening compound: tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0018
tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

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

6048-0018

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

tert-butyl 4-[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

IUPAC name

tert-butyl 4-[2-(34-dimethylphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCN1C(c1cc(-c2cc(C)c(C)cc2)nc2ccccc12)=O)=O

InChI

InChI=1S/C27H31N3O3/c1-18-10-11-20(16-19(18)2)24-17-22(21-8-6-7-9-23(21)28-24)25(31)29-12-14-30(15-13-29)26(32)33-27(3,4)5/h6-11,16-17H,12-15H2,1-5H3

InChI Key

NGVMOCFVVQOEMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03075250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.278

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-5.69

Polar Surface Area

46.836

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with 6048-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0018?
Check Price and Availability of 6048-0018, 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 6048-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0018
  • 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 6048-0018 available by request