4523-0035 Screening compound: methyl 1-chloro-4-(2,4-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate

4523-0035 Screening compound: methyl 1-chloro-4-(2,4-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate
4523-0035 Screening compound: methyl 1-chloro-4-(2,4-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4523-0035
methyl 1-chloro-4-(2,4-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-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

4523-0035

Molecular Formula

C26H21Cl3N2O4S (C26 H21 Cl3 N2 O4 S)

Compound Name

methyl 1-chloro-4-(2,4-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-6-carboxylate

IUPAC name

methyl 1-chloro-4-(24-dichlorophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H2H3H3aH4H5H9bH-cyclopenta[c]quinoline-6-carboxylate

SMILES

COC(c(cccc1C(C2CC3Sc(cccc4)c4[N+]([O-])=O)C3Cl)c1NC2c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C26H21Cl3N2O4S/c1-35-26(32)16-6-4-5-15-22-17(24(30-25(15)16)14-10-9-13(27)11-18(14)28)12-21(23(22)29)36-20-8-3-2-7-19(20)31(33)34/h2-11,17,21-24,30H,12H2,1H3

InChI Key

POIMRNZXDNXRME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.565

Distribution Coefficient, logD

7.565

Water Solubility, LogSw

-6.39

Polar Surface Area

64.052

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 4523-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4523-0035?
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What is the minimum amount of 4523-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4523-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4523-0035
  • 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 4523-0035 available by request