8010-4285 Screening compound: N-[1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]acetamide

8010-4285 Screening compound: N-[1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]acetamide
8010-4285 Screening compound: N-[1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4285
N-[1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]acetamide

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

8010-4285

Molecular Formula

C26H23ClFN3O3S (C26 H23 ClFN3 O3 S)

Compound Name

N-[1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]acetamide

IUPAC name

N-[1-chloro-4-(2-fluorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H2H3H3aH4H5H9bH-cyclopenta[c]quinolin-8-yl]acetamide

SMILES

CC(Nc(cc1)cc(C(C2CC3Sc(cccc4)c4[N+]([O-])=O)C3Cl)c1NC2c(cccc1)c1F)=O

InChI

InChI=1S/C26H23ClFN3O3S/c1-14(32)29-15-10-11-20-17(12-15)24-18(26(30-20)16-6-2-3-7-19(16)28)13-23(25(24)27)35-22-9-5-4-8-21(22)31(33)34/h2-12,18,23-26,30H,13H2,1H3,(H,29,32)

InChI Key

PREJUUCGALKQSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.050

Distribution Coefficient, logD

6.050

Water Solubility, LogSw

-5.65

Polar Surface Area

68.392

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 8010-4285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4285?
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What is the minimum amount of 8010-4285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4285
  • 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 8010-4285 available by request