4698-0803 Screening compound: 4-[1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carbonyl]morpholine

4698-0803 Screening compound: 4-[1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carbonyl]morpholine
4698-0803 Screening compound: 4-[1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4698-0803
4-[1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H,2H,3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carbonyl]morpholine

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

4698-0803

Molecular Formula

C29H27ClN4O6S (C29 H27 ClN4 O6 S)

Compound Name

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

IUPAC name

4-[1-chloro-4-(4-nitrophenyl)-2-[(2-nitrophenyl)sulfanyl]-1H2H3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carbonyl]morpholine

SMILES

[O-][N+](c1ccc(C(C(CC2Sc(cccc3)c3[N+]([O-])=O)C3C2Cl)Nc(cc2)c3cc2C(N2CCOCC2)=O)cc1)=O

InChI

InChI=1S/C29H27ClN4O6S/c30-27-25(41-24-4-2-1-3-23(24)34(38)39)16-21-26(27)20-15-18(29(35)32-11-13-40-14-12-32)7-10-22(20)31-28(21)17-5-8-19(9-6-17)33(36)37/h1-10,15,21,25-28,31H,11-14,16H2

InChI Key

SWBJMVQWGWSWFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03170091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.08

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.82

Polar Surface Area

103.069

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with 4698-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4698-0803?
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What is the minimum amount of 4698-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4698-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4698-0803
  • 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 4698-0803 available by request