8013-1428 Screening compound: butyl 4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

8013-1428 Screening compound: butyl 4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate
8013-1428 Screening compound: butyl 4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1428
butyl 4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-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

8013-1428

Molecular Formula

C23H24N2O4 (C23 H24 N2 O4)

Compound Name

butyl 4-(4-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-carboxylate

IUPAC name

butyl 4-(4-nitrophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline-8-carboxylate

SMILES

CCCCOC(c(cc1)cc(C2C=CCC22)c1NC2c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H24N2O4/c1-2-3-13-29-23(26)16-9-12-21-20(14-16)18-5-4-6-19(18)22(24-21)15-7-10-17(11-8-15)25(27)28/h4-5,7-12,14,18-19,22,24H,2-3,6,13H2,1H3

InChI Key

URLGHWPDUVWLJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.386

Distribution Coefficient, logD

6.386

Water Solubility, LogSw

-5.49

Polar Surface Area

66.751

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.80

8013-1428 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1428?
Check Price and Availability of 8013-1428, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1428
  • 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 8013-1428 available by request