6145-0544 Screening compound: 1-(4-chloroanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

6145-0544 Screening compound: 1-(4-chloroanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
6145-0544 Screening compound: 1-(4-chloroanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0544
1-(4-chloroanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

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

6145-0544

Molecular Formula

C23H15ClN2O2 (C23 H15 ClN2 O2)

Compound Name

1-(4-chloroanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

IUPAC name

16-[(4-chlorophenyl)amino]-14-methyl-14-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2469(17)1012-heptaene-815-dione

SMILES

CN(c(cccc1C(c2c3cccc2)=O)c1C3=C1Nc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C23H15ClN2O2/c1-26-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(26)28)25-14-11-9-13(24)10-12-14/h2-12,25H,1H3

InChI Key

UDQSOTQVMLMKFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.963

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-5.22

Polar Surface Area

37.285

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

6145-0544 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 6145-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0544?
Check Price and Availability of 6145-0544, 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 6145-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0544
  • 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 6145-0544 available by request