1959-0078 Screening compound: 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

1959-0078 Screening compound: 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid
1959-0078 Screening compound: 4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1959-0078
4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

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

1959-0078

Molecular Formula

C19H16BrNO2 (C19 H16 BrNO2)

Compound Name

4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

IUPAC name

4-(4-bromophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylic acid

SMILES

OC(c(cc1)cc(C2C=CCC22)c1NC2c(cc1)ccc1Br)=O

InChI

InChI=1S/C19H16BrNO2/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(22)23)6-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H,22,23)

InChI Key

GHLCBQZUTBKNAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.652

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-5.61

Polar Surface Area

40.730

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 1959-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1959-0078?
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What is the minimum amount of 1959-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1959-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1959-0078
  • 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 1959-0078 available by request