2945-0035 Screening compound: 1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

2945-0035 Screening compound: 1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid
2945-0035 Screening compound: 1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2945-0035
1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,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

2945-0035

Molecular Formula

C25H20ClFN2O4S (C25 H20 ClFN2 O4 S)

Compound Name

1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylic acid

IUPAC name

1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H2H3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylic acid

SMILES

[O-][N+](c(cccc1)c1SC(CC(C12)C(c(cccc3)c3F)Nc(cc3)c1cc3C(O)=O)C2Cl)=O

InChI

InChI=1S/C25H20ClFN2O4S/c26-23-21(34-20-8-4-3-7-19(20)29(32)33)12-16-22(23)15-11-13(25(30)31)9-10-18(15)28-24(16)14-5-1-2-6-17(14)27/h1-11,16,21-24,28H,12H2,(H,30,31)

InChI Key

OCDBIIVGALZXKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.820

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-5.86

Polar Surface Area

73.539

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 2945-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2945-0035?
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What is the minimum amount of 2945-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2945-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2945-0035
  • 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 2945-0035 available by request