J078-0675 Screening compound: 1-{[(4-bromophenyl)carbamoyl]methyl}-N,N-diethyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

J078-0675 Screening compound: 1-{[(4-bromophenyl)carbamoyl]methyl}-N,N-diethyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
J078-0675 Screening compound: 1-{[(4-bromophenyl)carbamoyl]methyl}-N,N-diethyl-2-oxo-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J078-0675
1-{[(4-bromophenyl)carbamoyl]methyl}-N,N-diethyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

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

J078-0675

Molecular Formula

C22H22BrN3O3 (C22 H22 BrN3 O3)

Compound Name

1-{[(4-bromophenyl)carbamoyl]methyl}-N,N-diethyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

IUPAC name

1-{[(4-bromophenyl)carbamoyl]methyl}-NN-diethyl-2-oxo-12-dihydroquinoline-4-carboxamide

SMILES

CCN(CC)C(C(c(cccc1)c1N1CC(Nc(cc2)ccc2Br)=O)=CC1=O)=O

InChI

InChI=1S/C22H22BrN3O3/c1-3-25(4-2)22(29)18-13-21(28)26(19-8-6-5-7-17(18)19)14-20(27)24-16-11-9-15(23)10-12-16/h5-13H,3-4,14H2,1-2H3,(H,24,27)

InChI Key

LUUQBOAIGHFHJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.68

Polar Surface Area

54.700

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with J078-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J078-0675?
Check Price and Availability of J078-0675, 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 J078-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J078-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J078-0675
  • 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 J078-0675 available by request