4597-0459 Screening compound: 8-chloro-9-nitro-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol

4597-0459 Screening compound: 8-chloro-9-nitro-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol
4597-0459 Screening compound: 8-chloro-9-nitro-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4597-0459
8-chloro-9-nitro-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol

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

4597-0459

Molecular Formula

C18H14ClN3O5 (C18 H14 ClN3 O5)

Compound Name

8-chloro-9-nitro-4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-6-ol

IUPAC name

8-chloro-9-nitro-4-(4-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinolin-6-ol

SMILES

[O-][N+](c1ccc(C(C2C3C=CC2)Nc(c(O)c2)c3c([N+]([O-])=O)c2Cl)cc1)=O

InChI

InChI=1S/C18H14ClN3O5/c19-13-8-14(23)17-15(18(13)22(26)27)11-2-1-3-12(11)16(20-17)9-4-6-10(7-5-9)21(24)25/h1-2,4-8,11-12,16,20,23H,3H2

InChI Key

WZGYQFWANGEGHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01892199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.68

Polar Surface Area

92.779

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 4597-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4597-0459?
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What is the minimum amount of 4597-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4597-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4597-0459
  • 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 4597-0459 available by request